iGMDRD78

Canonical SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=C(C5=C4)CN(C)C)O)O

InChI: InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1

InChI Key: UCFGDBYHRUNTLO-QHCPKHFHSA-N

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Standard Name
CHEMBL
Pubchem CID
KEGG Drug ID
DRUGBANK ID
Drug Status
Drug targets (TTD)
Drug Type
Standard NameTopotecan
CHEMBLCHEMBL1607 CHEMBL84
Pubchem CID60700
KEGG Drug IDD02168
DRUGBANK IDDB01030
Drug StatusAlone
Drug targets (TTD)DAP000648
Drug TypeSmall Molecule



Drug Pathways:

Bile secretion

Drug-model tissue-cancer distribution: Bubble Plot

LUNtissue: LUN cancer: LUNG model num: 0LUNGtissue: LUNG cancer: undefined model num: 1LIVEtissue: LIVE cancer: LIVER model num: 0LIVERtissue: LIVER cancer: undefined model num: 1undefinetissue: undefine cancer: undefined model num: 0undefinedtissue: undefined cancer: PANCAN model num: 9OVARtissue: OVAR cancer: OVARY model num: 0OVARYtissue: OVARY cancer: Ovarian Cancer model num: 1

Drug-gene pathway enrichments

5reactome: Metabolism of proteins4reactome: Gene expression (Transcription)4reactome: Disease4reactome: Signal Transduction3reactome: Post-translational protein modification3reactome: Signaling by TGF-beta family members2pid: Caspase Cascade in Apoptosis2smpdb: Irinotecan Action Pathway2pid: Integrin-linked kinase signaling2pharmgkb: Irinotecan Pathway, Pharmacodynamics

Drug-gene GO enrichments

11CC: nucleus10CC: nucleoplasm8MF: protein binding6CC: nucleolus5BP: mismatch repair5CC: cytoplasm5CC: cytosol4CC: plasma membrane4MF: protein homodimerization activity4BP: BMP signaling pathway

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
7514 XPO1 1
2956 MSH6 1
4086 SMAD1 1
54658 UGT1A1 1
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Gene in drug-gene network: Network Plot

TTF1TTF1SMER3SMER3BIRB-796BIRB-796importazoleimportazolePL.DIPL.DIAM-580AM-580NilotinibNilotinibfingolimodfingolimodBelinostatBelinostaterastinerastinIrinotecanIrinotecanUGT1A1UGT1A1IdarubicinIdarubicinBMS-536924BMS-536924quinoclaminequinoclamineisoevodiamineisoevodiaminenakiterpiosinnakiterpiosinLY 2183240LY 2183240NSC141540NSC141540VX-680VX-680Nsc 632839Nsc 632839zebularinezebularineFQI-2FQI-2MSH6MSH6PI-103PI-103navitoclaxnavitoclaxSB225002SB225002bistramide Abistramide APARP inhibitorsPARP inhibitorsSirolimusSirolimusCD437CD437MAGI1MAGI1PX 12PX 12BIX01294BIX01294lovastatin acidlovastatin acidMerck60Merck60OSW-1OSW-1CarboplatinCarboplatinML214ML214CyclophosphamideCyclophosphamide179324-69-7179324-69-7triptolidetriptolidecurcumincurcuminAC55649AC55649TOP1TOP1kinetin ribosidekinetin ribosideBMS-754807BMS-754807tipifarnib-P2tipifarnib-P2FK 866FK 866DC-45-A2DC-45-A2Compound.1541ACompound.1541AGW-843682XGW-843682XavrainvillamideavrainvillamideGMX1778GMX1778oligomycin.Aoligomycin.ApevonedistatpevonedistatBRD7137BRD7137PAC-1PAC-1nutlin 3nutlin 3PARP1PARP1BI-2536BI-2536AZD-1775AZD-1775PaclitaxelPaclitaxelGSK-461364GSK-461364XL-880XL-880PF 184PF 184XPO1XPO1SMAD1SMAD1CAY10618CAY10618tivozanibtivozanibHSCI1_000270HSCI1_000270docetaxel in KRAS mutantdocetaxel in KRAS mutantNVP-231NVP-231SB-743921SB-743921daporinaddaporinadDPP4DPP4TopotecanTopotecan

Models in Topotecan

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
EXP(PARP1) protein MCLP LUNG undefined topotecan resistance in vitro
EXP(S6_pS240S244) protein MCLP LIVER undefined topotecan sensitivity in vitro
EXP(CHK1_pS345) protein MCLP undefined PANCAN topotecan resistance in vitro
EXP(SMAD1) protein MCLP undefined PANCAN topotecan resistance in vitro
EXP(CMET) protein MCLP undefined PANCAN topotecan sensitivity in vitro
EXP(MSH6) protein MCLP undefined PANCAN topotecan resistance in vitro
EXP(CD26) protein MCLP undefined PANCAN topotecan sensitivity in vitro
EXP(TTF1) protein MCLP undefined PANCAN topotecan resistance in vitro
EXP(BAP1) protein MCLP undefined PANCAN topotecan resistance in vitro
EXP(UGT1A) protein MCLP undefined PANCAN topotecan sensitivity in vitro
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