iGMDRD236


Canonical SMILES: CC(=O)C1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=CC=CC=C4C3=O)O)OC5CC(C(CO5)O)O)N

InChI: InChI=1S/C25H25NO9/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3/t14-,15+,16-,17-,25-/m0/s1

InChI Key: VJZITPJGSQKZMX-XDPRQOKASA-N

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Standard Name
CHEMBL
Pubchem CID
DRUGBANK ID
Drug Status
Drug Type
Standard NameAmrubicin
Pubchem CID3035020
DRUGBANK IDDB06263
Drug StatusAlone
Drug TypeSmall Molecule


Drug Targets:

TOP2A (P11388)DNA

Drug-model tissue-cancer distribution: Bubble Plot

LUNtissue: LUN cancer: LUNG model num: 0LUNGtissue: LUNG cancer: Lung Cancer model num: 2

Drug-gene pathway enrichments

1wikipathways: Oxidative Stress1wikipathways: Estrogen metabolism1wikipathways: Benzene metabolism1wikipathways: Simplified Interaction Map Between LOXL4 and Oxidative Stress Pathway1wikipathways: Transcriptional activation by NRF21wikipathways: Photodynamic therapy-induced NFE2L2 (NRF2) survival signaling1smpdb: Phenytoin (Antiarrhythmic) Action Pathway1smpdb: Vitamin K Metabolism1reactome: Metabolism of polyamines1reactome: Metabolism of amino acids and derivatives

Drug-gene GO enrichments

3CC: cytosol2MF: NAD(P)H dehydrogenase (quinone) activity1BP: response to electrical stimulus1BP: oxidation-reduction process1BP: response to ethanol1BP: cellular response to hydrogen peroxide1BP: negative regulation of apoptotic process1BP: negative regulation of catalytic activity1BP: positive regulation of neuron apoptotic process1BP: response to nitrogen compound

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
1728 NQO1 2
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Gene in drug-gene network: Network Plot

Models in Amrubicin

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Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
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