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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H17ClFN9O
Molecular Weight 477.881
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GS-9901

SMILES

NC1=NC(N)=C(C#N)C(N[C@@H](C2CC2)C3=NC4=C(C(Cl)=CC=C4F)C(=O)N3C5=CC=CN=C5)=N1

InChI

InChIKey=XDSXYMOZKDUASY-INIZCTEOSA-N
InChI=1S/C22H17ClFN9O/c23-13-5-6-14(24)17-15(13)21(34)33(11-2-1-7-28-9-11)20(30-17)16(10-3-4-10)29-19-12(8-25)18(26)31-22(27)32-19/h1-2,5-7,9-10,16H,3-4H2,(H5,26,27,29,31,32)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H17ClFN9O
Molecular Weight 477.881
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
1.0 nM [IC50]
770.0 nM [IC50]
46.0 nM [IC50]
51.0 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:10:19 UTC 2023
Edited
by admin
on Sat Dec 16 08:10:19 UTC 2023
Record UNII
U09Q76B8VK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GS-9901
Common Name English
GS 9901 [WHO-DD]
Common Name English
Code System Code Type Description
SMS_ID
300000041461
Created by admin on Sat Dec 16 08:10:19 UTC 2023 , Edited by admin on Sat Dec 16 08:10:19 UTC 2023
PRIMARY
FDA UNII
U09Q76B8VK
Created by admin on Sat Dec 16 08:10:19 UTC 2023 , Edited by admin on Sat Dec 16 08:10:19 UTC 2023
PRIMARY
CAS
1640247-87-5
Created by admin on Sat Dec 16 08:10:19 UTC 2023 , Edited by admin on Sat Dec 16 08:10:19 UTC 2023
PRIMARY
PUBCHEM
86763204
Created by admin on Sat Dec 16 08:10:19 UTC 2023 , Edited by admin on Sat Dec 16 08:10:19 UTC 2023
PRIMARY
NCI_THESAURUS
C121374
Created by admin on Sat Dec 16 08:10:19 UTC 2023 , Edited by admin on Sat Dec 16 08:10:19 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY