Details of the Drug

General Information of Drug (ID: DMS00KQ)

Drug Name

Pretubulysin

Synonyms

Tubulin antagonists (cancer); Tubulin antagonists (cancer), Delphian Pharmaceuticals; Tubulin antagonists (cancer), Duquesne University

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Investigative	[1]
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Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C36H55N5O5S
Canonical SMILES: CCC(C)C(C(=O)N(C)C(CCC1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)O)C(C)C)NC(=O)C3CCCCN3C
InChI: 1S/C36H55N5O5S/c1-8-24(4)32(39-34(43)30-16-12-13-19-40(30)6)35(44)41(7)29(23(2)3)17-18-31-38-28(22-47-31)33(42)37-27(20-25(5)36(45)46)21-26-14-10-9-11-15-26/h9-11,14-15,22-25,27,29-30,32H,8,12-13,16-21H2,1-7H3,(H,37,42)(H,39,43)(H,45,46)/t24-,25-,27+,29+,30+,32-/m0/s1
InChIKey: IUQKJKPHUBJDJV-UMNBWOBWSA-N

Cross-matching ID

References

1	The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.