AM251   Click here for help

GtoPdb Ligand ID: 3317

Synonyms: AM 251 | AM-251
Compound class: Synthetic organic
Comment: AM251 is a CB1 receptor antagonist/inverse agonist. Experiments in rats indicate that AM251 has potential as a prophylactic antidote to the cannabinoid receptor mediated, often life-threatening, side-effects that are an increasingly common cause for concern in individuals taking highly potent synthetic cannabinoids recreationally [5].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 49.64
Molecular weight 554.01
XLogP 6.58
No. Lipinski's rules broken 1
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Canonical SMILES Ic1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1
Isomeric SMILES Ic1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1
InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
AM 251 | AM-251
Database Links Click here for help
Specialist databases
GPCRdb Ligand AM251
Other databases
CAS Registry No. 183232-66-8 (source: Scifinder)
ChEMBL Ligand CHEMBL285932
GtoPdb PubChem SID 178100351
PubChem CID 2125
Search Google for chemical match using the InChIKey BUZAJRPLUGXRAB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BUZAJRPLUGXRAB
UniChem Compound Search for chemical match using the InChIKey BUZAJRPLUGXRAB-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BUZAJRPLUGXRAB-UHFFFAOYSA-N
Wikipedia AM251

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AM 251 (links to external site)
Cat. No. 1117