iGMDRD41

Canonical SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)

InChI Key: KTUFNOKKBVMGRW-UHFFFAOYSA-N

Standard NameCHEMBLPubchem CIDKEGG Drug IDDRUGBANK IDDrug StatusDrug targets (TTD)Drug Type
ImatinibCHEMBL2386595 CHEMBL1642 CHEMBL941 5291D08066DB00619AloneDNC001383Small Molecule

Drug Class:

Acids, CarbocyclicAmidesAntineoplastic AgentsAntineoplastic and Immunomodulating AgentsBCRP/ABCG2 InhibitorsBCRP/ABCG2 SubstratesBenzamides and benzamide derivativesBenzene DerivativesBenzoatesCarboxylic AcidsCardiotoxic antineoplastic agentsCombined Inhibitors of CYP3A4 and P-glycoproteinCombined Inhibitors of CYP3A4 and P-glycoprotein (Moderate)Cytochrome P-450 CYP1A2 SubstratesCytochrome P-450 CYP2D6 InhibitorsCytochrome P-450 CYP2D6 Inhibitors (weak)Cytochrome P-450 CYP3A InhibitorsCytochrome P-450 CYP3A SubstratesCytochrome P-450 CYP3A4 InhibitorsCytochrome P-450 CYP3A4 Inhibitors (moderate)Cytochrome P-450 CYP3A4 SubstratesCytochrome P-450 CYP3A5 SubstratesCytochrome P-450 CYP3A7 SubstratesCytochrome P-450 Enzyme InhibitorsEnzyme InhibitorsHeterocyclic CompoundsHeterocyclic Compounds, 1-RingHydrocarbonsHydrocarbons, AromaticHydrocarbons, CyclicImmunosuppressive AgentsKinase InhibitorMiscellaneous Therapeutic AgentsMyelosuppressive AgentsP-glycoprotein/ABCB1 InhibitorsP-glycoprotein/ABCB1 SubstratesPiperazinesProtein Kinase InhibitorsPyrimidinesTyrosine Kinase Inhibitors



Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot


Gene IDGene NameModel Num.
3845KRAS1
4771NF24
1111CHEK11
1029CDKN2A1
10018BCL2L111
3932LCK1
6714SRC1
3791KDR1
4292MLH11
7495XBP1P11
1956EGFR1
5747PTK21
5156PDGFRA120
673BRAF1
1977EIF4E1
7248TSC12
5111PCNA1
5583PRKCH1
3815KIT385
4893NRAS1
25ABL1462
4763NF12
4613MYCN1
1436CSF1R2

Gene in drug-gene network: Network Plot

Models in Imatinib

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