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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H17Cl2FN4OS
Molecular Weight 427.323
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AFURESERTIB

SMILES

CN1N=CC(Cl)=C1C2=C(Cl)SC(=C2)C(=O)N[C@H](CN)CC3=CC=CC(F)=C3

InChI

InChIKey=AFJRDFWMXUECEW-LBPRGKRZSA-N
InChI=1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H17Cl2FN4OS
Molecular Weight 427.323
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 17:28:16 UTC 2023
Edited
by admin
on Fri Dec 15 17:28:16 UTC 2023
Record UNII
8739X25QI3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AFURESERTIB
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
ASB-183
Code English
GSK-2110183
Code English
2-THIOPHENECARBOXAMIDE, N-((1S)-2-AMINO-1-((3-FLUOROPHENYL)METHYL)ETHYL)-5-CHLORO-4-(4-CHLORO-1-METHYL-1H-PYRAZOL-5-YL)-
Systematic Name English
GSK2110183
Code English
afuresertib [INN]
Common Name English
N-[(1S)-1-(Aminomethyl)-2-(3-fluorophenyl)ethyl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamide
Systematic Name English
GSK2110183C
Code English
AFURESERTIB [USAN]
Common Name English
Afuresertib [WHO-DD]
Common Name English
ASB183
Code English
GSK-2110183C
Code English
N-((2S)-1-AMINO-3-(3-FLUOROPHENYL)PROPAN-2-YL)-5-CHLORO-4-(4-CHLORO-1-METHYL-1H-PYRAZOL-5-YL)THIOPHENE-2-CARBOXAMIDE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C155764
Created by admin on Fri Dec 15 17:28:16 UTC 2023 , Edited by admin on Fri Dec 15 17:28:16 UTC 2023
Code System Code Type Description
USAN
ZZ-02
Created by admin on Fri Dec 15 17:28:16 UTC 2023 , Edited by admin on Fri Dec 15 17:28:16 UTC 2023
PRIMARY
SMS_ID
100000168977
Created by admin on Fri Dec 15 17:28:16 UTC 2023 , Edited by admin on Fri Dec 15 17:28:16 UTC 2023
PRIMARY
INN
9666
Created by admin on Fri Dec 15 17:28:16 UTC 2023 , Edited by admin on Fri Dec 15 17:28:16 UTC 2023
PRIMARY
PUBCHEM
46843057
Created by admin on Fri Dec 15 17:28:16 UTC 2023 , Edited by admin on Fri Dec 15 17:28:16 UTC 2023
PRIMARY
NCI_THESAURUS
C82390
Created by admin on Fri Dec 15 17:28:16 UTC 2023 , Edited by admin on Fri Dec 15 17:28:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID60146711
Created by admin on Fri Dec 15 17:28:16 UTC 2023 , Edited by admin on Fri Dec 15 17:28:16 UTC 2023
PRIMARY
DRUG BANK
DB11648
Created by admin on Fri Dec 15 17:28:16 UTC 2023 , Edited by admin on Fri Dec 15 17:28:16 UTC 2023
PRIMARY
EVMPD
SUB182525
Created by admin on Fri Dec 15 17:28:16 UTC 2023 , Edited by admin on Fri Dec 15 17:28:16 UTC 2023
PRIMARY
CAS
1047644-62-1
Created by admin on Fri Dec 15 17:28:16 UTC 2023 , Edited by admin on Fri Dec 15 17:28:16 UTC 2023
PRIMARY
FDA UNII
8739X25QI3
Created by admin on Fri Dec 15 17:28:16 UTC 2023 , Edited by admin on Fri Dec 15 17:28:16 UTC 2023
PRIMARY
ChEMBL
CHEMBL2219422
Created by admin on Fri Dec 15 17:28:16 UTC 2023 , Edited by admin on Fri Dec 15 17:28:16 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY