Compound ID | 1542

Update compound information

CPZEN-45 analog 2

Class: Mycolyl arabinogalactan biosynthesis inhibitor

Details of activity: Novel antituberculosis drug. Also active against M. avium, M intracellulare and M bovis
Institute where first reported: Institute of Microbial Chemistry, Kamiosaki, Shinagawa-ku, Tokyo, Japan
Year first mentioned: 2019
Highest developmental phase: Preclinical
Chemical structure(s):
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Molecular weight: 674.7
Iso. SMILES: NC[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@H]([C@@H]2[C@H](O)[C@H](O)[C@H](N3C(NC(C=C3)=O)=O)O2)[C@H]4C(N(C)C(C(NC5=CC=C(CCC)C=C5)=O)=CCN4C)=O)O1
InChI Key: OFFMASJQJHYRMK-SPPQSJBVSA-N
Can. SMILES: CCCC1=CC=C(C=C1)NC(=O)C2=CCN(C)[C@@H]([C@@H]([C@@H]3[C@@H]([C@@H]([C@H](N4C=CC(=O)NC4=O)O3)O)O)O[C@H]5[C@@H]([C@@H]([C@@H](CN)O5)O)O)C(=O)N2C
InChI: InChI=1S/C31H42N6O11/c1-4-5-15-6-8-16(9-7-15)33-27(43)17-10-12-35(2)20(28(44)36(17)3)25(48-30-24(42)21(39)18(14-32)46-30)26-22(40)23(41)29(47-26)37-13-11-19(38)34-31(37)45/h6-11,13,18,20-26,29-30,39-42H,4-5,12,14,32H2,1-3H3,(H,33,43)(H,34,38,45)/t18-,20+,21-,22-,23+,24-,25+,26+,29-,30+/m1/s1
External links:
Citation: https://www.nature.com/articles/s41429-019-0225-5

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