Details of the Drug

General Information of Drug (ID: DMLB167)

Drug Name

Trunkamide

Synonyms

Trunkamide (cancer)

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C43H63N7O8S
Canonical SMILES: CCC(C)C1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C3=NC(CS3)C(=O)NC(C(=O)NC(C(=O)N1)COC(C)(C)C=C)C(C)OC(C)(C)C=C)CC4=CC=CC=C4)C
InChI: 1S/C43H63N7O8S/c1-11-25(4)33-38(54)44-26(5)41(56)50-21-17-20-32(50)37(53)45-29(22-28-18-15-14-16-19-28)40-47-31(24-59-40)36(52)49-34(27(6)58-43(9,10)13-3)39(55)46-30(35(51)48-33)23-57-42(7,8)12-2/h12-16,18-19,25-27,29-34H,2-3,11,17,20-24H2,1,4-10H3,(H,44,54)(H,45,53)(H,46,55)(H,48,51)(H,49,52)/t25-,26-,27+,29-,30-,31-,32-,33-,34-/m0/s1
InChIKey: UTERRJKSLJLXTA-LVPVHDLMSA-N

Cross-matching ID

References

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