Compound ID | 96
Class: Antimicrobial peptide (defensin mimetic)
Spectrum of activity: | Gram-positive |
Details of activity: | Acute bacterial skin and skin structure infections |
Propensity to select resistant mutants: | Yes |
Institute where first reported: | Cellceutix, USA |
Year first mentioned: | 2012/13 |
Highest developmental phase: | Phase 2 (NCT02052388) |
Development status: | Active |
Chemical structure(s): | |
Canonical 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 |
Isomeric 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: | 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 |
InChI Key: | QPDYBCZNGUJZDK-DNQXCXABSA-N |
Structure link: | https://pubchem.ncbi.nlm.nih.gov/compound/25023695 |
External links: | |
Citations: |
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