Compound ID | 2876

Update compound information

BV100 (Mycobutin)

Synonym(s): LM 427

Class: Rifamycin

Agent Type: Semisynthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: RNA synthesis inhibitor
Target Pathogen: Active against Acinetobacter baumannii
Description: Semisynthetic compound based on rifabutin; synthesized as a prodrug for intravenous application
Institute where first reported: BioVersys
Year first mentioned: 2022
Highest development stage: Phase 1 (NCT05685615)
Development status: Active as of 2024
Chemical structure(s):
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Molecular weight: 847.01
Iso. SMILES: C[C@H]1/C=C/C=C(\C(=O)N=C2C(=C3C(=C4C2=NC5(N4)CCN(CC5)CC(C)C)C6=C(C(=C3O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)O)/C
InChI Key: ZWBTYMGEBZUQTK-PVLSIAFMSA-N
Can. SMILES: CC(C)CN1CCC2(CC1)NC3=C4C5=C(C(=NC(=O)/C(=C\C=C\[C@H](C)[C@@H]([C@@H](C)[C@H]([C@@H](C)[C@@H]([C@H](C)[C@H](/C=C/O[C@]6(C)C(=O)C4=C(C(=C5O)C)O6)OC)OC(=O)C)O)O)/C)C3=N2)O
InChI: InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,48,52-55H,16-19,21H2,1-11H3/b13-12+,20-15+,24-14-,47-36?/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/135398743
Citation: https://www.sciencedirect.com/science/article/pii/S1359644621003093?via%3Dihub

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