ZCZ011   Click here for help

GtoPdb Ligand ID: 9239

Synonyms: ZCZ 011 | ZCZ-011
Compound class: Synthetic organic
Comment: ZCZ011 was synthesized as a possible positive allosteric modulator (PAM) of the cannabinoid CB1 receptor [1,3]. It has subsequently been described as an ago-PAM, which is a ligand that displays both direct agonist activity and PAM activity [2]. It is a derivative of the confirmed CB1 receptor ago-PAM GAT211.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 87.17
Molecular weight 362.11
XLogP 5.1
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES [O-][N+](=O)CC(c1c([nH]c2c1ccc(c2)C)c1ccccc1)c1cccs1
Isomeric SMILES [O-][N+](=O)CC(c1c([nH]c2c1ccc(c2)C)c1ccccc1)c1cccs1
InChI InChI=1S/C21H18N2O2S/c1-14-9-10-16-18(12-14)22-21(15-6-3-2-4-7-15)20(16)17(13-23(24)25)19-8-5-11-26-19/h2-12,17,22H,13H2,1H3
InChI Key RJSPNRDBWHHFMH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-methyl-3-(2-nitro-1-(thiophen-2-yl)ethyl)-2-phenyl-1H-indole
Synonyms Click here for help
ZCZ 011 | ZCZ-011
Database Links Click here for help
GtoPdb PubChem SID 315661314
PubChem CID 71819307
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