Compound ID | 2913
Class: InhA inhibitor
Details of activity: | Active against Mycobacterium tuberculosis; competitive inhibitor of NADH in InhA (an essential fatty acid synthesis enzyme) |
Description: | Natural product from Streptomyces pyridomyceticus (also from Dactylosporangium fulvum); has activity against Mycobacteria tuberculosis in macrophages |
Year first mentioned: | 2012 |
Development status: | Experimental |
Chemical structure(s): | |
Canonical SMILES: | CC/C(=C\1/C(=O)O[C@H](C)[C@@H](C(=O)N[C@@H](CC2=CC=CN=C2)[C@H]([C@@H](C)C(=O)O1)O)NC(=O)C3=NC=CC=C3O)/C |
Isomeric SMILES: | CC/C(=C\1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)CC2=CN=CC=C2)NC(=O)C3=C(C=CC=N3)O)C)/C |
InChI: | InChI=1S/C27H32N4O8/c1-5-14(2)23-27(37)38-16(4)20(31-25(35)21-19(32)9-7-11-29-21)24(34)30-18(12-17-8-6-10-28-13-17)22(33)15(3)26(36)39-23/h6-11,13,15-16,18,20,22,32-33H,5,12H2,1-4H3,(H,30,34)(H,31,35)/b23-14-/t15-,16-,18+,20+,22+/m1/s1 |
InChI Key: | WHIKSLGSXKIHCA-IGCCMALHSA-N |
Structure link: | https://pubchem.ncbi.nlm.nih.gov/compound/3037036 |
External links: | |
Guide to Pharmacology: | pyridomycin |
Main Source: | https://www.embopress.org/doi/full/10.1002/emmm.201201689 |