GS-9901

Investigational

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 Search

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

Primary Target	Pharmacology	Potency
PI3-kinase p110-delta subunit 43 Target ID: CHEMBL3130 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27660855	Inhibitor 8297	1.0 nM [IC50]
PI3-kinase p110-alpha subunit 41 Target ID: CHEMBL4005 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27660855	Inhibitor 8297	770.0 nM [IC50]
PI3-kinase p110-beta subunit 31 Target ID: CHEMBL3145 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27660855	Inhibitor 8297	46.0 nM [IC50]
PI3-kinase p110-gamma subunit 32 Target ID: CHEMBL3267 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27660855	Inhibitor 8297	51.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:10:19 GMT 2023` Edited by `admin` on `Sat Dec 16 08:10:19 GMT 2023`
Record UNII	U09Q76B8VK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GS-9901

Common Name

English

GS 9901 [WHO-DD]

Common Name

English

Code System Code Type Description

SMS_ID

300000041461