Details of the Drug

General Information of Drug (ID: DM3E8XE)

Drug Name

K-Ras(G12C) inhibitor 9

Synonyms

K-Ras(G12C) inhibitor 9; 1469337-91-4; K-RAS inhibitor 9; C16H21ClIN3O4S; K-Ras(GI2C) Inhibitor 9; GTPL8022; SCHEMBL15337776; AOB5260; MolPort-035-789-686; HMS3653G14; BCP12230; 2501AH; ZINC205220330; AKOS032945137; NCGC00384194-02; S7332; SW219243-1; J-008285

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C16H21ClIN3O4S
Canonical SMILES: COC1=CC(=C(C=C1NCC(=O)N2CCC(CC2)NS(=O)(=O)C=C)I)Cl
InChI: 1S/C16H21ClIN3O4S/c1-3-26(23,24)20-11-4-6-21(7-5-11)16(22)10-19-14-9-13(18)12(17)8-15(14)25-2/h3,8-9,11,19-20H,1,4-7,10H2,2H3
InChIKey: ZGUSBCDCZNBNQT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 71761630
TTD ID: D09FXD

References

1	K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature. 2013 Nov 28;503(7477):548-51.