iGMDRD377

Canonical SMILES: C1CN(CCC1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N)CC4=CC(=C(C=C4)Cl)Cl

InChI: InChI=1S/C21H22Cl2N4OS2/c22-16-3-1-13(9-17(16)23)11-27-7-5-15(6-8-27)25-20(28)12-29-21-26-18-4-2-14(24)10-19(18)30-21/h1-4,9-10,15H,5-8,11-12,24H2,(H,25,28)

InChI Key: QOHFBKIKGAINLL-UHFFFAOYSA-N

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Standard Name
CHEMBL
Pubchem CID
Drug Status
Drug Type
Standard NameCompound 1b
CHEMBLCHEMBL20921
Pubchem CID9913080
Drug StatusAlone
Drug TypeSmall Molecule

Drug-model tissue-cancer distribution: Bubble Plot

BOWEtissue: BOWE cancer: BOWEL model num: 0BOWELtissue: BOWEL cancer: undefined model num: 1undefinetissue: undefine cancer: undefined model num: 0undefinedtissue: undefined cancer: PANCAN model num: 3

Drug-gene pathway enrichments

3reactome: Gene expression (Transcription)3reactome: RNA Polymerase II Transcription3reactome: Generic Transcription Pathway2reactome: Metabolism of proteins2reactome: NOTCH1 Intracellular Domain Regulates Transcription2reactome: Pre-NOTCH Expression and Processing2reactome: Signaling by NOTCH12reactome: Transcriptional regulation by RUNX32reactome: G1/S DNA Damage Checkpoints2wikipathways: Notch Signaling Pathway

Drug-gene GO enrichments

3MF: protein binding3MF: asparagine synthase (glutamine-hydrolyzing) activity3BP: asparagine biosynthetic process3CC: cytosol3MF: histone acetyltransferase activity3CC: nucleus2BP: DNA damage induced protein phosphorylation2BP: cellular response to DNA damage stimulus2CC: nucleoplasm2MF: ATP binding

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
472 ATM 1
2648 KAT2A 1
440 ASNS 1
Showing 1 to 3 of 3 rows

Gene in drug-gene network: Network Plot

Models in Compound 1b

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Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
No matching records found

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