Compound ID | 1543

Update compound information

CPZEN-45 analog 3

Class: Mycolyl arabinogalactan biosynthesis inhibitor

Details of activity: Novel antituberculosis drug. Also active against 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: 688.73
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=C(CCCC)C=CC=C5)=O)=CCN4C)=O)O1
InChI Key: BPIUFXURRUIJRB-BXEFKEBXSA-N
Can. SMILES: CCCCC1=C(C=CC=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/C32H44N6O11/c1-4-5-8-16-9-6-7-10-17(16)34-28(44)18-11-13-36(2)21(29(45)37(18)3)26(49-31-25(43)22(40)19(15-33)47-31)27-23(41)24(42)30(48-27)38-14-12-20(39)35-32(38)46/h6-7,9-12,14,19,21-27,30-31,40-43H,4-5,8,13,15,33H2,1-3H3,(H,34,44)(H,35,39,46)/t19-,21+,22-,23-,24+,25-,26+,27+,30-,31+/m1/s1
External links:
Citation: https://www.nature.com/articles/s41429-019-0225-5

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