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iGMDRD173

Canonical SMILES: CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C

InChI: InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1

InChI Key: QXRSDHAAWVKZLJ-PVYNADRNSA-N

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug targets (TTD)	Drug Type
Epothilone B	CHEMBL94657	448013	DB03010	Alone	DNC000616	Small Molecule

Drug Class:

Anti-Bacterial Agents Antimitotic Agents Antineoplastic Agents Lactones Macrocyclic Compounds Macrolides Mitosis Modulators Polycyclic Compounds Polyketides Tubulin Modulators

Drug Targets:

Microtubules TUBA3C (Q13748)TUBB (P07437)TUBB1 (Q9H4B7)TUBB4B (P68371)TUBB4A (P04350)TUBA4A (P68366)TUBB3 (Q13509)TUBA1C (Q9BQE3)TUBA8 (Q9NY65)TUBA1B (P68363)TUBA1A (Q71U36)

Drug Pathways:

Mitosis

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.
4627	MYH9	1
390502	SERPINA2	1
27065	NSG1	1
1029	CDKN2A	2
4609	MYC	3
54206	ERRFI1	1
2648	KAT2A	2
7291	TWIST1	1
100862685	ERVK-19	1

Gene in drug-gene network: Network Plot

Models in Epothilone B

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CLASSFICATION

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