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iGMDRD66

Canonical SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O

InChI: InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1

InChI Key: AOJJSUZBOXZQNB-TZSSRYMLSA-N

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Standard Name	CHEMBL	Pubchem CID	KEGG Drug ID	DRUGBANK ID	Drug Status	Drug targets (TTD)	Drug Type
Standard NameDoxorubicin CHEMBLCHEMBL53463 CHEMBL216371 CHEMBL272706 CHEMBL359744 Pubchem CID31703 KEGG Drug IDD03899 DRUGBANK IDDB00997 Drug StatusAlone Drug targets (TTD)DNC000163 Drug TypeSmall Molecule

Drug Class:

Anthracycline Topoisomerase Inhibitor Anthracyclines Anthracyclines and Related Substances Antibiotics, Antineoplastic Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Substrates Carbohydrates Cardiotoxic antineoplastic agents Cytochrome P-450 Enzyme Inhibitors Cytotoxic Antibiotics and Related Substances Daunorubicin Enzyme Inhibitors Glycosides Hydrocarbons Hydrocarbons, Aromatic Hydrocarbons, Cyclic Immunosuppressive Agents Myelosuppressive Agents Naphthacenes P-glycoprotein/ABCB1 Inducers P-glycoprotein/ABCB1 Substrates Polycyclic Compounds Polycyclic Hydrocarbons, Aromatic Topoisomerase II Inhibitors Topoisomerase Inhibitors

Drug Targets:

Anthracycline DNA intercalating TOP2A (P11388)NOLC1 (Q14978)

Drug Pathways:

DNA replication Biosynthesis of type II polyketide products Biosynthesis of antibiotics

Drug Synonyms:

Doxorubicin (USAN/INN)ADR Adriblastina (TN)

Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot

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Gene ID	Gene Name	Model Num.
7514	XPO1	1
5295	PIK3R1	1
83481	EPPK1	2
4170	MCL1	2

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Gene in drug-gene network: Network Plot

Models in Doxorubicin

Model	Level	Reference ID	Tissue	Cancer	Drug	Clinical Response	Source
EXP(EPPK1)	protein	MCLP	UTERUS	undefined	doxorubicin	resistance	in vitro
EXP(P27_pT198)	protein	MCLP	BLOOD	undefined	Doxorubicin	sensitivity	in vitro
EXP(GCN5L2)	protein	MCLP	BLOOD	undefined	Doxorubicin	resistance	in vitro
EXP(EIF2A_pS51)	protein	MCLP	BLOOD	undefined	Doxorubicin	resistance	in vitro
EXP(CDK1)	protein	MCLP	undefined	PANCAN	Doxorubicin	resistance	in vitro
EXP(CHK2_pT68)	protein	MCLP	undefined	PANCAN	Doxorubicin	sensitivity	in vitro
EXP(CYCLINB1)	protein	MCLP	undefined	PANCAN	Doxorubicin	resistance	in vitro
EXP(ERALPHA)	protein	MCLP	undefined	PANCAN	Doxorubicin	sensitivity	in vitro
EXP(PR)	protein	MCLP	undefined	PANCAN	Doxorubicin	sensitivity	in vitro
EXP(NDRG1_pT346)	protein	MCLP	undefined	PANCAN	Doxorubicin	sensitivity	in vitro

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Disclaimer: iGMDR is intended for research purposes only. Its information cannot be used for emergencies or medical or professional advice.