Compound ID | 978

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Squalamine

Class: Natural product antibiotic

Agent Type: Natural product; Small molecule;
Spectrum of activity: Gram-negative
Mechanism of action: Unknown
Description: Mintz CS, Kogan N, Kakarla R, et al. Antibacterial activity and cell permeabilising properties of a novel class of steroid poylamine conjugates. 36th-Intersci-Conf-Antimicrobial-Agents-Chemother 1996; 142.
Institute where first reported: Genaera Corp., USA
Year first mentioned: 1996
Highest development stage: Phase 2
Development status: Inactive
Chemical structure(s):
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Molecular weight: 627.96
Iso. SMILES: C[C@H](CC[C@H](C(C)C)OS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)NCCCNCCCCN)C)O)C
InChI Key: UIRKNQLZZXALBI-MSVGPLKSSA-N
Can. SMILES: CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC[C@@H](C[C@@H]4C[C@H]3O)NCCCNCCCCN)OS(=O)(=O)O
InChI: InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/72495
Guide to Pharmacology: squalamine
Citation: https://doi.org/10.1073/pnas.90.4.1354

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