Compound ID | 1453

Update compound information

Redx03863

Class: Bacterial topoisomerase inhibitor

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Antimycobacterial activity. Also active against S. aureus, E.coli, A. baumannii and M.smegmatis
Institute where first reported: Norwich Research Park, Uk
Year first mentioned: 2020
Highest developmental phase: Preclinical
Chemical structure(s):
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Molecular weight: 436.49
Iso. SMILES: CC=1N=CC(=CN1)OC2=NC3=C(C(N4C[C@]5([C@H](N)[C@@]5(C)C4)[H])=N2)C6=CC(F)=CC(NC)=C6N3.[H][H]
InChI Key: VGYBIYMDKFCPMQ-RGTJFBPVSA-N
Can. SMILES: CC1=NC=C(C=N1)OC2=NC(=C3C4=CC(=CC(=C4NC3=N2)NC)F)N5C[C@@]6([H])[C@@H]([C@@]6(C)C5)N.[H][H]
InChI: InChI=1S/C22H23FN8O.H2/c1-10-26-6-12(7-27-10)32-21-29-19-16(13-4-11(23)5-15(25-3)17(13)28-19)20(30-21)31-8-14-18(24)22(14,2)9-31;/h4-7,14,18,25H,8-9,24H2,1-3H3,(H,28,29,30);1H/t14-,18-,22-;/m0./s1
External links:
Citation: https://academic.oup.com/jac/article-abstract/75/10/2835/5878045?redirectedFrom=fulltext

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