Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.5
Substance Class Chemical
Record UNII
J4T82NDH7E
Record Status Validated (UNII)
Record Version
Show Definitional References Hide Definitional References
Download

Details

Stereochemistry ACHIRAL
Molecular Formula C22H23N3O4
Molecular Weight 393.4357
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Created by admin on Thu Mar 26 03:23:38 EDT 2020
Edited by admin on Thu Mar 26 03:23:38 EDT 2020
Structure of ERLOTINIB

Systematic Names:

  • None recorded
  • {{name}}

SMILES

COCCOC1=CC2=C(C=C1OCCOC)C(NC3=CC(=CC=C3)C#C)=NC=N2

InChI

AAKJLRGGTJKAMG-UHFFFAOYSA-N
InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
Name Type Language Details References
ERLOTINIB
Domain Jurisdiction Naming Organization
drug  
INN  
EMA EPAR   INN   MI   VANDF   WHO-DD  
Official Name
English  
N-(3-ETHYNYLPHENYL)-6,7-BIS(2-METHOXYETHOXY)QUINAZOLIN-4-AMINE
Systematic Name
English  
CP-358774
Code
English  
RG-1415
Code
English  
ERLOTINIB [EMA EPAR]
Common Name
English  
R-1415
Code
English  
CP-35877401
Code
English  
ERLOTINIB [MI]
Common Name
English  
ERLOTINIB [INN]
Common Name
English  
ERLOTINIB [VANDF]
Common Name
English  
4-QUINAZOLINAMINE, N-(3-ETHYNYLPHENYL)-6,7-BIS(2-METHOXYETHOXY)-
Systematic Name
English  
CP-358,774
Code
English  
ERLOTINIB [WHO-DD]
Common Name
English  
Classification Tree Code System Code References
NCI_THESAURUS C2167
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
NDF-RT N0000175605
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
WHO-VATC QL01XE03
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
WHO-ATC L01XE03
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
LIVERTOX 365
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
NCI_THESAURUS C129825
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
NDF-RT N0000175076
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
EMA ASSESSMENT REPORTS TARCEVA (AUTHORIZED: PANCREATIC NEOPLASMS)
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
EMA ASSESSMENT REPORTS TARCEVA (AUTHORISED: CARCINOMA, NON-SMALL-CELL LUNG)
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
Code System Code Type Description References
DRUG BANK
DB00530
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
PRIMARY
CAS
183321-74-6
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
PRIMARY
ChEMBL
CHEMBL553
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
PRIMARY
IUPHAR
4920
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
PRIMARY
LactMed
183321-74-6
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
PRIMARY
NCI_THESAURUS
C65530
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
PRIMARY
INN
8133
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
PRIMARY
MERCK INDEX
M5000
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
PRIMARY Merck Index
EPA CompTox
183321-74-6
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
PRIMARY
HSDB
183321-74-6
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
PRIMARY
MESH
C400278
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
PRIMARY
WIKIPEDIA
ERLOTINIB
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
PRIMARY
RXCUI
337525
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
PRIMARY RxNorm
EVMPD
SUB16423MIG
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
PRIMARY
PUBCHEM
176870
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
PRIMARY
Related Record Type Details References
TRANSPORTER -> SUBSTRATE
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 03:23:41 EDT 2020 , Edited by admin on Thu Mar 26 03:23:41 EDT 2020
TRANSPORTER -> INHIBITOR
Mediator Substance Details
none
Created by admin on Thu Mar 26 03:23:39 EDT 2020 , Edited by admin on Thu Mar 26 03:23:39 EDT 2020
TRANSPORTER -> INHIBITOR
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 03:23:41 EDT 2020 , Edited by admin on Thu Mar 26 03:23:41 EDT 2020
SALT/SOLVATE -> PARENT
none
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 03:23:39 EDT 2020 , Edited by admin on Thu Mar 26 03:23:39 EDT 2020
TRANSPORTER -> INHIBITOR
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 03:23:40 EDT 2020 , Edited by admin on Thu Mar 26 03:23:40 EDT 2020
TRANSPORTER -> SUBSTRATE
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 03:23:40 EDT 2020 , Edited by admin on Thu Mar 26 03:23:40 EDT 2020
TARGET -> INHIBITOR
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 03:23:38 EDT 2020 , Edited by admin on Thu Mar 26 03:23:38 EDT 2020
TRANSPORTER -> SUBSTRATE
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 03:23:40 EDT 2020 , Edited by admin on Thu Mar 26 03:23:40 EDT 2020
TRANSPORTER -> INHIBITOR
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 03:23:41 EDT 2020 , Edited by admin on Thu Mar 26 03:23:41 EDT 2020
TRANSPORTER -> SUBSTRATE
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 03:23:41 EDT 2020 , Edited by admin on Thu Mar 26 03:23:41 EDT 2020
Related Record Type Details References
METABOLITE -> PARENT
none
Mediator Substance Details
MAJOR
FECAL; URINE
Created by admin on Thu Mar 26 03:23:39 EDT 2020 , Edited by admin on Thu Mar 26 03:23:39 EDT 2020
METABOLITE -> PARENT
Mediator Substance Details
none
MAJOR
Created by admin on Thu Mar 26 03:23:39 EDT 2020 , Edited by admin on Thu Mar 26 03:23:39 EDT 2020
METABOLITE -> PARENT
none
Mediator Substance Details
none
MAJOR
FECAL
Created by admin on Thu Mar 26 03:23:39 EDT 2020 , Edited by admin on Thu Mar 26 03:23:39 EDT 2020
METABOLITE -> PARENT
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 03:23:39 EDT 2020 , Edited by admin on Thu Mar 26 03:23:39 EDT 2020
METABOLITE -> PARENT
none
Mediator Substance Details
none
MAJOR
FECAL; URINE
Created by admin on Thu Mar 26 03:23:39 EDT 2020 , Edited by admin on Thu Mar 26 03:23:39 EDT 2020
METABOLITE -> PARENT
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 03:23:39 EDT 2020 , Edited by admin on Thu Mar 26 03:23:39 EDT 2020
METABOLITE -> PARENT
none
Mediator Substance Details
none
MAJOR
URINE
Created by admin on Thu Mar 26 03:23:39 EDT 2020 , Edited by admin on Thu Mar 26 03:23:39 EDT 2020
METABOLITE -> PARENT
none
Mediator Substance Details
none
MINOR
FECAL; URINE
Created by admin on Thu Mar 26 03:23:39 EDT 2020 , Edited by admin on Thu Mar 26 03:23:39 EDT 2020
METABOLITE -> PARENT
none
Mediator Substance Details
none
MAJOR
FECAL
Created by admin on Thu Mar 26 03:23:39 EDT 2020 , Edited by admin on Thu Mar 26 03:23:39 EDT 2020
METABOLITE -> PARENT
Mediator Substance Details
none
MAJOR
Created by admin on Thu Mar 26 03:23:39 EDT 2020 , Edited by admin on Thu Mar 26 03:23:39 EDT 2020
Related Record Type Details References
ACTIVE MOIETY
none
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 03:23:39 EDT 2020 , Edited by admin on Thu Mar 26 03:23:39 EDT 2020
Name Property Type Amount Referenced Substance Defining Parameters References
CSF/PLASMA RATIO BIOLOGICAL SPECIES
BIOLOGICAL
Note References
[Validation]WARNING:Code 'CHEMBL553'[ChEMBL] collides (possible duplicate) with existing code & codeSystem for substance:
[DA87705X9K]ERLOTINIB HYDROCHLORIDE
[Validation]WARNING:Code 'N0000175605'[NDF-RT] collides (possible duplicate) with existing code & codeSystem for substance:
[0VUA21238F]LAPATINIB
[Validation]WARNING:Code 'M5000'[MERCK INDEX] collides (possible duplicate) with existing code & codeSystem for substance:
[DA87705X9K]ERLOTINIB HYDROCHLORIDE
[Validation]WARNING:Code 'N0000175076'[NDF-RT] collides (possible duplicate) with existing code & codeSystem for substance:
[624KN6GM2T]TEMSIROLIMUS
[Validation]WARNING:Code 'TARCEVA (AUTHORIZED: PANCREATIC NEOPLASMS)'[EMA ASSESSMENT REPORTS] collides (possible duplicate) with existing code & codeSystem for substance:
[DA87705X9K]ERLOTINIB HYDROCHLORIDE
[Validation]WARNING:Structure has 2 possible duplicates:
[92101ZTI3Q]ERLOTINIB C-11
[DA87705X9K]ERLOTINIB HYDROCHLORIDE
Created Thu Mar 26 03:23:38 EDT 2020
Created By admin
Last Edited Thu Mar 26 03:23:38 EDT 2020
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File
1 ERLOTINIB [EMA EPAR] SRS_LOCATOR
2 GSRS System-generated Validation messages VALIDATION_MESSAGE Thu Mar 26 03:23:38 EDT 2020
3 Generated from relationship on:'OCT-3' SYSTEM
4 WHO-DD SRS NOMEN
5 WEBSITE WEBSITE NOMEN PUBLIC_DOMAIN_RELEASE
6 WEBSITE WEBSITE NOMEN PUBLIC_DOMAIN_RELEASE
7 NDF-RT SRS NOMEN
8 ERLOTINIB [MI] SRS_LOCATOR
9 HTTP://WWW.TANDFONLINE.COM/DOI/PDF/10.1517/17425255.2015.1006626 WEBSITE NOMEN
10 HTTP://WWW.TANDFONLINE.COM/DOI/PDF/10.1517/17425255.2015.1006626 WEBSITE NOMEN
11 CHEMBL SRS NOMEN
12 ERLOTINIB [VANDF] SRS_LOCATOR
13 HTTP://WWW.TANDFONLINE.COM/DOI/PDF/10.1517/17425255.2015.1006626 WEBSITE NOMEN
14 HTTP://WWW.TANDFONLINE.COM/DOI/PDF/10.1517/17425255.2015.1006626 WEBSITE NOMEN
15 EMA SRS NOMEN
16 KATHAWALA, R.J., ET AL., THE MODULATION OF ABC TRANSPORTER-MEDIATED MULTIDRUG RESISTANCE IN CANCER: A REVIEW OF THE PAST DECADE. DRUG RESIST. UPDAT. (2014), HTTP://DX.DOI.ORG/10.1016/J.DRUP.2014.11.002 CAS NOMEN
17 GSRS System-generated Validation messages VALIDATION_MESSAGE Thu Mar 26 03:23:38 EDT 2020
18 STN STN (SCIFINDER)
19 Generated from relationship on:'OCT-2' SYSTEM
20 ERLOTINIB [INN] SRS_LOCATOR
21 SYSTEM
22 Generated from relationship on:'OCT-2' SYSTEM
23 DMD MARCH 2006 VOL. 34 NO. 3 420-426 JOURNAL ARTICLE NOMEN
24 Generated from relationship on:'OAT-3' SYSTEM
25 HTTP://WWW.TANDFONLINE.COM/DOI/PDF/10.1517/17425255.2015.1006626 WEBSITE NOMEN
26 HTTP://DMD.ASPETJOURNALS.ORG/CONTENT/34/3/420.FULL.PDF+HTML JOURNAL ARTICLE NOMEN
27 USP DICTIONARY 2009 SRS NOMEN
28 MERCK INDEX MERCK INDEX NOMEN
29 http://www.ncbi.nlm.nih.gov/pubmed/12848590 SRS NOMEN
30 ERLOTINIB [WHO-DD] SRS_LOCATOR
31 USP Dictionary 2010 SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
32 INN 2010 SRS NOMEN
33 Generated from relationship on:'OAT-2' SYSTEM
34 SRS CODE IMPORT SRS NOMEN Fri Apr 28 14:45:00 EDT 2017
35 Generated from relationship on:'ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2' SYSTEM
36 Yang, Zhenfan, et al. "AZD3759, a BBB-penetrating EGFR inhibitor for the treatment of EGFR mutant NSCLC with CNS metastases." Science translational medicine 8.368 (2016): 368ra172-368ra172. JA
37 MERCK INDEX SRS NOMEN
38 HTTP://WWW.TANDFONLINE.COM/DOI/PDF/10.1517/17425255.2015.1006626 WEBSITE NOMEN
39 Generated from relationship on:'OCT-1' SYSTEM
40 http://bts.ucsf.edu/fdatransportal/transporters/ABCG2/ WEBSITE NOMEN
41 Generated from relationship on:'MULTIDRUG RESISTANCE PROTEIN 1' SYSTEM
42 Trends in Pharmacological Sciences, November 2014, Vol. 35, No. 11 604-620 WEBSITE NOMEN
43 SRS import [J4T82NDH7E] SRS NOMEN Fri Apr 28 14:45:00 EDT 2017
44 WEBSITE WEBSITE NOMEN PUBLIC_DOMAIN_RELEASE

Molecular Formula C22H23N3O4
Molecular Weight 393.4357
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE