Compound ID | 96

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Brilacidin

Class: Antimicrobial peptide

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: Membrane-active agent
Target Pathogen: Active against acute bacterial skin and skin structure infections
Propensity to select resistant mutants: Yes
Description: Synthetic compound; a defensin mimetic
Institute where first reported: Cellceutix, USA
Year first mentioned: 154
Highest development stage: Phase 2 (NCT02052388)
Development status: Active
Chemical structure(s):
Click here for structure editor
Molecular weight: 936.91
Iso. SMILES: C1CNC[C@@H]1OC2=C(C=C(C=C2NC(=O)C3=CC(=NC=N3)C(=O)NC4=CC(=CC(=C4O[C@@H]5CCNC5)NC(=O)CCCCN=C(N)N)C(F)(F)F)C(F)(F)F)NC(=O)CCCCN=C(N)N
InChI Key: QPDYBCZNGUJZDK-DNQXCXABSA-N
Can. SMILES: C(CCN=C(N)N)CC(=O)NC1=CC(=CC(=C1O[C@@H]2CCNC2)NC(=O)C3=NC=NC(=C3)C(=O)NC4=C(C(=CC(=C4)C(F)(F)F)NC(=O)CCCCN=C(N)N)O[C@@H]5CCNC5)C(F)(F)F
InChI: InChI=1S/C40H50F6N14O6/c41-39(42,43)21-13-25(57-31(61)5-1-3-9-53-37(47)48)33(65-23-7-11-51-18-23)27(15-21)59-35(63)29-17-30(56-20-55-29)36(64)60-28-16-22(40(44,45)46)14-26(34(28)66-24-8-12-52-19-24)58-32(62)6-2-4-10-54-38(49)50/h13-17,20,23-24,51-52H,1-12,18-19H2,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H4,47,48,53)(H4,49,50,54)/t23-,24-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/25023695
Guide to Pharmacology: brilacidin
Citations:
  • http://aac.asm.org/content/58/9/5136.full
  • https://www.escmid.org/escmid_publications/escmid_elibrary/?q=Brilacidin&id=2173&L=0&x=23&y=29

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