PhTX-11   

GtoPdb Ligand ID: 8883

Synonyms: compound 7e [1]
Compound class: Synthetic organic
Comment: PhTX-11 is reported as a potent noncompetitive antagonist of nicotinic acetylcholine receptors containing the δ subunit [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 19
Topological polar surface area 104.45
Molecular weight 419.31
XLogP 4.77
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCCC(=O)NC(C(=O)NCCCCCCCCCCCN)Cc1ccc(cc1)O
Isomeric SMILES CCCC(=O)N[C@H](C(=O)NCCCCCCCCCCCN)Cc1ccc(cc1)O
InChI InChI=1S/C24H41N3O3/c1-2-12-23(29)27-22(19-20-13-15-21(28)16-14-20)24(30)26-18-11-9-7-5-3-4-6-8-10-17-25/h13-16,22,28H,2-12,17-19,25H2,1H3,(H,26,30)(H,27,29)/t22-/m0/s1
InChI Key OZVULFLAPUPPFK-QFIPXVFZSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-[(2S)-1-(11-aminoundecylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide
Synonyms
compound 7e [1]
Comments
PhTX-11 is reported as a potent noncompetitive antagonist of nicotinic acetylcholine receptors containing the δ subunit [1].
Database Links
BindingDB Ligand 50111638
ChEMBL Ligand CHEMBL16044
GtoPdb PubChem SID 252827540
PubChem CID 10047720
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