iGMDRD180

Canonical SMILES: CC1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)N=C(S3)C

InChI: InChI=1S/C15H12N2O2S/c1-8-3-5-10(6-4-8)17-11-7-12(18)15-13(14(11)19)16-9(2)20-15/h3-7,17H,1-2H3

InChI Key: HFPLHASLIOXVGS-UHFFFAOYSA-N

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Standard Name
CHEMBL
Pubchem CID
Drug Status
Drug Type
Standard NameCDK2/4 inhibitor
CHEMBLCHEMBL290904
Pubchem CID481747
Drug StatusFamily
Drug TypeSmall Molecule

Drug-model tissue-cancer distribution: Bubble Plot

SKItissue: SKI cancer: SKIN model num: 0SKINtissue: SKIN cancer: Cutaneous Melanoma (SKCM) model num: 1SKINtissue: SKIN cancer: Melanoma (MEL) model num: 1OTHEtissue: OTHE cancer: OTHER model num: 0OTHERtissue: OTHER cancer: Cancer of Unknown Primary (CUP) model num: 9

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
673 BRAF 2
1027 CDKN1B 3
1026 CDKN1A 6
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Gene in drug-gene network: Network Plot

PI-103PI-103neopeltolideneopeltolideBMS-536924BMS-536924FluorouracilFluorouracilquinoclaminequinoclaminenavitoclaxnavitoclaxDC-45-A2DC-45-A2Compound.1541ACompound.1541AceruleninceruleninSB225002SB225002BRD4132BRD4132FedratinibFedratinibrTRAILrTRAIL(-)-gallocatechin-3-O-gallate(-)-gallocatechin-3-O-gallateNsc 632839Nsc 632839piperlonguminepiperlongumineNSC23766NSC23766CDKN1ACDKN1Aselumetinib in BRAF mutant tumorsselumetinib in BRAF mutant tumorsCompound 44Compound 44MEK inhibitorsMEK inhibitorscetuximabcetuximabCobimetinibCobimetinibSorafenibSorafenibPanitumumabPanitumumabBRAF inhibitorsBRAF inhibitorspan-RAF inhibitorspan-RAF inhibitorsPLX-4720PLX-4720DabrafenibDabrafenibVemurafenibVemurafenibRefametinibRefametinibTrametinibTrametinibBRAFBRAFRITARITALY 2183240LY 2183240VNLG/124VNLG/124SCHEMBL2608041SCHEMBL2608041SirolimusSirolimusCDKN1BCDKN1BCDK2/4 inhibitorsCDK2/4 inhibitors

Models in CDK2/4 inhibitor

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
SNV(BRAF V600E) gene 22997239 SKIN Cutaneous Melanoma (SKCM) CDK2/4 inhibitor sensitivity in vivo
DEL(CDKN1A) gene 22471707 OTHER Cancer of Unknown Primary (CUP) CDK2/4 inhibitor sensitivity in vivo
DEL(CDKN1A) gene 22997239 OTHER Cancer of Unknown Primary (CUP) CDK2/4 inhibitor sensitivity in vivo
ONCO-MUT(CDKN1A) gene 22471707 OTHER Cancer of Unknown Primary (CUP) CDK2/4 inhibitor sensitivity in vivo
ONCO-MUT(CDKN1A) gene 22997239 OTHER Cancer of Unknown Primary (CUP) CDK2/4 inhibitor sensitivity in vivo
DEL(CDKN1B) gene 22471707 OTHER Cancer of Unknown Primary (CUP) CDK2/4 inhibitor sensitivity in vivo
ONCO-MUT(CDKN1B) gene 22471707 OTHER Cancer of Unknown Primary (CUP) CDK2/4 inhibitor sensitivity in vivo
SNV(BRAF V600E) gene 22997239 SKIN Melanoma (MEL) BRAF inhibitors + CDK2/4 inhibitors sensitivity in vivo
MUT(CDKN1A)|DEL(CDKN1A) gene 22471707 OTHER Cancer of Unknown Primary (CUP) CDK2/4 inhibitors sensitivity in vivo
MUT(CDKN1A)|DEL(CDKN1A) gene 22997239 OTHER Cancer of Unknown Primary (CUP) CDK2/4 inhibitors sensitivity in vivo
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