Compound ID | 2978
Class: Gyrase B inhibitor
Details of activity: | Active against Mycobacterium tuberculosis, Mycobacterium abscessus, Mycobacterium avium complex, and Mycobacterium kansasii |
Description: | Synthetic compound; aminobenzimidazole; active against Mycobacterium tuberculosis within macrophages; prodrug has improved solubility rapidly converted to active compound |
Institute where first reported: | Vertex Pharmaceuticals Incorporated, Boston, Massachusetts, USA |
Year first mentioned: | 2015 |
Development status: | Experimental |
Chemical structure(s): | |
Canonical SMILES: | CCNC(=O)NC1=NC2=C([C@H]3CCCO3)C(=C(C=C2N1)C4=CN=C(C(C)(C)O)N=C4)F |
Isomeric SMILES: | CCNC(=O)NC1=NC2=C(N1)C=C(C(=C2[C@H]3CCCO3)F)C4=CN=C(N=C4)C(C)(C)O |
InChI: | InChI=1S/C21H25FN6O3/c1-4-23-20(29)28-19-26-13-8-12(11-9-24-18(25-10-11)21(2,3)30)16(22)15(17(13)27-19)14-6-5-7-31-14/h8-10,14,30H,4-7H2,1-3H3,(H3,23,26,27,28,29)/t14-/m1/s1 |
InChI Key: | BKUISYCLLXCBJV-CQSZACIVSA-N |
Structure link: | https://pubchem.ncbi.nlm.nih.gov/compound/57524959 |
External links: | |
Guide to Pharmacology: | SPR719 |
Main Source: | https://journals.asm.org/doi/10.1128/aac.04347-14 |
Citations: |
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