AHPN   Click here for help

GtoPdb Ligand ID: 3431

Synonyms: CD 437 | CD437 | Ro 47-2077
Compound class: Synthetic organic
Comment: AHPN is a Retinoic acid receptor-γ (RARG) agonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 57.53
Molecular weight 398.19
XLogP 8.25
No. Lipinski's rules broken 1
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Canonical SMILES Oc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)ccc(c2)C(=O)O
Isomeric SMILES Oc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)ccc(c2)C(=O)O
InChI InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)
1. Charpentier B, Bernardon JM, Eustache J, Millois C, Martin B, Michel S, Shroot B. (1995)
Synthesis, structure-affinity relationships, and biological activities of ligands binding to retinoic acid receptor subtypes.
J Med Chem, 38 (26): 4993-5006. [PMID:8544175]
2. Kim W, Zhu W, Hendricks GL, Van Tyne D, Steele AD, Keohane CE, Fricke N, Conery AL, Shen S, Pan W et al.. (2018)
A new class of synthetic retinoid antibiotics effective against bacterial persisters.
Nature, 556 (7699): 103-107. [PMID:29590091]