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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

SHOW SMILES / InChI
Structure of PKI-166

SMILES

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

InChI

InChIKey=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

HIDE SMILES / InChI

Molecular Formula C20H18N4O
Molecular Weight 330.3831
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:52:46 UTC 2023
Edited
by admin
on Fri Dec 15 15:52:46 UTC 2023
Record UNII
9RIE5HW38P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PKI-166
Common Name English
PKI 166 [WHO-DD]
Common Name English
CGP-75166
Code 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
PUBCHEM
6918403
Created by admin on Fri Dec 15 15:52:46 UTC 2023 , Edited by admin on Fri Dec 15 15:52:46 UTC 2023
PRIMARY
ChEMBL
CHEMBL1963502
Created by admin on Fri Dec 15 15:52:46 UTC 2023 , Edited by admin on Fri Dec 15 15:52:46 UTC 2023
PRIMARY
CAS
187724-61-4
Created by admin on Fri Dec 15 15:52:46 UTC 2023 , Edited by admin on Fri Dec 15 15:52:46 UTC 2023
PRIMARY
FDA UNII
9RIE5HW38P
Created by admin on Fri Dec 15 15:52:46 UTC 2023 , Edited by admin on Fri Dec 15 15:52:46 UTC 2023
PRIMARY
NCI_THESAURUS
C1871
Created by admin on Fri Dec 15 15:52:46 UTC 2023 , Edited by admin on Fri Dec 15 15:52:46 UTC 2023
PRIMARY
SMS_ID
100000183956
Created by admin on Fri Dec 15 15:52:46 UTC 2023 , Edited by admin on Fri Dec 15 15:52:46 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY