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
9RIE5HW38P
Record Status Validated (UNII)
Record Version
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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18N4O
Molecular Weight 330.3831
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0
Created by admin on Thu Mar 26 06:23:20 EDT 2020
Edited by admin on Thu Mar 26 06:23:20 EDT 2020
Structure of PKI-166

Systematic Names:

  • None recorded
  • {{name}}

SMILES

C[C@@H](NC1=C2C=C(NC2=NC=N1)C3=CC=C(O)C=C3)C4=CC=CC=C4

InChI

XRYJULCDUUATMC-CYBMUJFWSA-N
InChI=1S/C20H18N4O/c1-13(14-5-3-2-4-6-14)23-19-17-11-18(24-20(17)22-12-21-19)15-7-9-16(25)10-8-15/h2-13,25H,1H3,(H2,21,22,23,24)/t13-/m1/s1
Name Type Language Details References
PKI-166
Common Name
English  
CGP-75166
Code
English  
PKI 166 [WHO-DD]
Common Name
English  
4-(4-((1-PHENYLETHYL)AMINO)-7H-PYRROLO(2,3-D)PYRIMIDIN-6-YL)-PHENOL, R-
Common Name
English  
NVP-PKI166
Code
English  
Code System Code Type Description References
PUBCHEM
6918403
Created by admin on Thu Mar 26 06:23:20 EDT 2020 , Edited by admin on Thu Mar 26 06:23:20 EDT 2020
PRIMARY
ChEMBL
CHEMBL1963502
Created by admin on Thu Mar 26 06:23:20 EDT 2020 , Edited by admin on Thu Mar 26 06:23:20 EDT 2020
PRIMARY
CAS
187724-61-4
Created by admin on Thu Mar 26 06:23:20 EDT 2020 , Edited by admin on Thu Mar 26 06:23:20 EDT 2020
PRIMARY
Related Record Type Details References
TARGET -> INHIBITOR
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 06:23:20 EDT 2020 , Edited by admin on Thu Mar 26 06:23:20 EDT 2020
Related Record Type Details References
ACTIVE MOIETY
none
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 06:23:20 EDT 2020 , Edited by admin on Thu Mar 26 06:23:20 EDT 2020
Note References
[Validation]WARNING:Must specify STN reference for CAS
Created Thu Mar 26 06:23:20 EDT 2020
Created By admin
Last Edited Thu Mar 26 06:23:20 EDT 2020
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File
1 SRS import [9RIE5HW38P] SRS NOMEN Fri Apr 28 14:30:57 EDT 2017
2 WHO-DD WHO DRUG DICTIONARY
3 http://adisinsight.springer.com/drugs/800013689 SRS NOMEN
4 CHEMBL SRS NOMEN
5 GSRS System-generated Validation messages VALIDATION_MESSAGE Thu Mar 26 06:23:20 EDT 2020
6 WEB PAGE WEB PAGE NOMEN
7 stn SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
8 STN STN (SCIFINDER)
9 GSRS System-generated Validation messages VALIDATION_MESSAGE Thu Mar 26 06:23:20 EDT 2020
10 http://adisinsight.springer.com/drugs/800013689 WEBSITE NOMEN
11 SRS CODE IMPORT SRS NOMEN Fri Apr 28 14:30:57 EDT 2017

Molecular Formula C20H18N4O
Molecular Weight 330.3831
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED