Synonyms
Status
Molecule Category Free-form
UNII 9ZI8H1XB9X

Structure

InChI Key GNYWBETUYIZBHL-CQSZACIVSA-P
Smiles C[C@@H](NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccc[n+]2O)[n+]1O)c1cccc(Cl)c1
InChI
InChI=1S/C22H20Cl2F2N4O3/c1-14(15-5-4-6-16(23)11-15)28-21(31)12-18-17(24)8-9-20(30(18)33)27-13-22(25,26)19-7-2-3-10-29(19)32/h2-11,14,33H,12-13H2,1H3,(H-,28,31,32)/p+2/t14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22Cl2F2N4O3+2
Molecular Weight 499.35
AlogP 3.67
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 89.35
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Cannabinoid CB1 receptor antagonist ANTAGONIST Other

Target Conservation

Protein: Cannabinoid CB1 receptor

Description: Cannabinoid receptor 1

Organism : Homo sapiens

P21554 ENSG00000118432

Cross References

Resources Reference
ChEMBL CHEMBL3545289
FDA SRS 9ZI8H1XB9X
ZINC ZINC000012504482