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
HYW8DB273J
Record Status Validated (UNII)
Record Version
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Details

Stereochemistry ACHIRAL
Molecular Formula C29H39ClN7O2P
Molecular Weight 584.092
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Created by admin on Thu Mar 26 00:58:25 EDT 2020
Edited by admin on Thu Mar 26 00:58:25 EDT 2020
Structure of BRIGATINIB

Systematic Names:

  • None recorded
  • {{name}}

SMILES

COC1=C(NC2=NC=C(Cl)C(NC3=C(C=CC=C3)P(C)(C)=O)=N2)C=CC(=C1)N4CCC(CC4)N5CCN(C)CC5

InChI

AILRADAXUVEEIR-UHFFFAOYSA-N
InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
Name Type Language Details References
BRIGATINIB
Domain Jurisdiction Naming Organization
drug  
USAN   INN  
INN   USAN   WHO-DD  
Official Name
English  
BRIGATINIB [ORANGE BOOK]
Common Name
English  
BRIGATINIB [WHO-DD]
Common Name
English  
AP26113
Code
English  
5-CHLORO-N4-(2-(DIMETHYLPHOSPHORYL)PHENYL)-N2-(2-METHOXY-4-(4-(4-METHYLPIPERAZIN-1- YL)PIPERIDIN-1-YL)PHENYL)PYRIMIDINE-2,4-DIAMINE
Systematic Name
English  
BRIGATINIB [USAN]
Common Name
English  
(2-((5-CHLORO-2-((2-METHOXY-4-(4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL)PHENYL)AMINO)PYRIMIDIN-4-YL)AMINO)PHENYL)DIMETHYL-,.DELTA.5-PHOSPHANONE
Systematic Name
English  
2,4-PYRIMIDINEDIAMINE, 5-CHLORO-N4-(2-(DIMETHYLPHOSPHINYL)PHENYL)-N2-(2-METHOXY-4-(4-(4-METHYL-1-PIPERAZINYL)-1-PIPERIDINYL)PHENYL)-
Systematic Name
English  
ALUNBRIG
Brand Name
English  
AP-26113
Code
English  
BRIGATINIB [INN]
Common Name
English  
Classification Tree Code System Code References
WHO-ATC L01XE43
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
NCI_THESAURUS C129825
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
FDA ORPHAN DRUG 505415
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
NDF-RT N0000175605
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
NCI_THESAURUS C1967
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
Code System Code Type Description References
ChEMBL
CHEMBL3545311
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
PRIMARY
CAS
1197953-54-0
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
PRIMARY
NCI_THESAURUS
C98831
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
PRIMARY
WIKIPEDIA
Brigatinib
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
PRIMARY
RXCUI
1921217
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
PRIMARY
PUBCHEM
68165256
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
PRIMARY
INN
10085
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
PRIMARY
EVMPD
SUB184911
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
PRIMARY
Related Record Type Details References
TRANSPORTER -> SUBSTRATE
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 00:58:26 EDT 2020 , Edited by admin on Thu Mar 26 00:58:26 EDT 2020
TARGET -> INHIBITOR
Mediator Substance Details
none
INHIBITOR
IC50
Created by admin on Thu Mar 26 00:58:31 EDT 2020 , Edited by admin on Thu Mar 26 00:58:31 EDT 2020
TRANSPORTER -> SUBSTRATE
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
TARGET -> INHIBITOR
none
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 00:58:27 EDT 2020 , Edited by admin on Thu Mar 26 00:58:27 EDT 2020
METABOLIC ENZYME -> SUBSTRATE
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 00:58:26 EDT 2020 , Edited by admin on Thu Mar 26 00:58:26 EDT 2020
EXCRETED UNCHANGED
Mediator Substance Details
none
FECAL
Created by admin on Thu Mar 26 00:58:26 EDT 2020 , Edited by admin on Thu Mar 26 00:58:26 EDT 2020
EXCRETED UNCHANGED
Mediator Substance Details
none
Created by admin on Thu Mar 26 00:58:27 EDT 2020 , Edited by admin on Thu Mar 26 00:58:27 EDT 2020
METABOLIC ENZYME -> SUBSTRATE
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 00:58:26 EDT 2020 , Edited by admin on Thu Mar 26 00:58:26 EDT 2020
TARGET -> INHIBITOR
none
Mediator Substance Details
none
IC50
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
TARGET -> INHIBITOR
Mediator Substance Details
none
INHIBITOR
IC50
Created by admin on Thu Mar 26 00:58:32 EDT 2020 , Edited by admin on Thu Mar 26 00:58:32 EDT 2020
TARGET -> INHIBITOR
none
Mediator Substance Details
none
IC50
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
BINDER->LIGAND
Mediator Substance Details
none
BINDING
Created by admin on Thu Mar 26 00:58:27 EDT 2020 , Edited by admin on Thu Mar 26 00:58:27 EDT 2020
TARGET -> INHIBITOR
none
Mediator Substance Details
none
IC50
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
TARGET -> INHIBITOR
none
Mediator Substance Details
none
IC50
Created by admin on Thu Mar 26 00:58:25 EDT 2020 , Edited by admin on Thu Mar 26 00:58:25 EDT 2020
Related Record Type Details References
METABOLITE -> PARENT
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 00:58:26 EDT 2020 , Edited by admin on Thu Mar 26 00:58:26 EDT 2020
Related Record Type Details References
ACTIVE MOIETY
none
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 00:58:32 EDT 2020 , Edited by admin on Thu Mar 26 00:58:32 EDT 2020
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Tmax PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
Volume of Distribution
Note References
[Validation]WARNING:Code 'N0000175605'[NDF-RT] collides (possible duplicate) with existing code & codeSystem for substance:
[I42748ELQW]ACALABRUTINIB
Created Thu Mar 26 00:58:25 EDT 2020
Created By admin
Last Edited Thu Mar 26 00:58:25 EDT 2020
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File
1 USAN COUN 2014 SRS NOMEN
2 WIKI WIKI NOMEN PUBLIC_DOMAIN_RELEASE
3 BRIGATINIB [WHO-DD] SRS_LOCATOR
4 OB ORANGE BOOK
5 BRIGATINIB [USAN] SRS_LOCATOR
6 SRS import [HYW8DB273J] SRS NOMEN Fri Apr 28 15:15:05 EDT 2017
7 BRIGATINIB [INN] SRS_LOCATOR
8 STN STN (SCIFINDER)
9 https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/208772Orig1s000MultidisciplineR.pdf NDA PUBLIC REVIEW PUBLIC_DOMAIN_RELEASE
10 FDA WEB PAGE
11 SRS CODE IMPORT SRS NOMEN Fri Apr 28 15:15:05 EDT 2017
12 Bedi, Silky, et al. "A comprehensive review on Brigatinib-A wonder drug for targeted cancer therapy in Non-Small Cell Lung Cancer." Saudi Pharmaceutical Journal (2018). JA
13 WHO-DD SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
14 USAN COUN 2015 SRS NOMEN
15 DailyMed DAILYMED PUBLIC_DOMAIN_RELEASE NOMEN
16 https://www.clinicalkey.com/pharmacology/monograph/4943?sec=monphar LEPINDEX
17 CURRENT OPINION IN PHARMACOLOGY [1471-4892] CRESCENZO, RAMONA YR:2015 VOL:23 PG:39 -44 JOURNAL ARTICLE NOMEN
18 SYSTEM
19 GSRS System-generated Validation messages VALIDATION_MESSAGE Thu Mar 26 00:58:25 EDT 2020
20 USAN COUN 2014 USANCOUN NOMEN PUBLIC_DOMAIN_RELEASE
21 WHO DRUG DICTIONARY WHO DRUG DICTIONARY NOMEN
22 stn SRS NOMEN
23 usan SRS NOMEN
24 A Phase 2, Multicenter, Randomized Study of AP26113 SRS NOMEN
25 FDA_SRS SRS NOMEN
26 GSRS System-generated Validation messages VALIDATION_MESSAGE Thu Mar 26 00:58:25 EDT 2020
27 STN SRS NOMEN
28 INN SRS NOMEN

Molecular Formula C29H39ClN7O2P
Molecular Weight 584.092
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE