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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

Standard Name	CHEMBL	Pubchem CID	KEGG Drug ID	DRUGBANK ID	Drug Status	Drug targets (TTD)	Drug Type
Doxorubicin	CHEMBL53463 CHEMBL216371 CHEMBL272706 CHEMBL359744	31703	D03899	DB00997	Alone	DNC000163	Small 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

Gene ID	Gene Name	Model Num.
7514	XPO1	1
5295	PIK3R1	1
83481	EPPK1	2
4170	MCL1	2
11200	CHEK2	1
5159	PDGFRB	1
27065	NSG1	1
983	CDK1	1
27332	ZNF638	1
7157	TP53	7
6714	SRC	1
3791	KDR	1
4086	SMAD1	1
54658	UGT1A1	1
4609	MYC	1
6935	ZEB1	2
7153	TOP2A	1
2648	KAT2A	2
7248	TSC1	1
53353	LRP1B	3
100862685	ERVK-19	1
5925	RB1	1
4893	NRAS	1
7040	TGFB1	1

Gene in drug-gene network: Network Plot

Models in Doxorubicin

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