OTENABANT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: J8211Y53EF

Structure
InChI Key UNAZAADNBYXMIV-UHFFFAOYSA-N
Smile CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1
InChI
InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H25Cl2N7O
Molecular Weight 510.43
AlogP 4.22
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 101.96
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Cannabinoid CB1 receptor antagonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Cannabinoid receptor
- - - 0-1 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Obesity 3 D009765 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL562668
DrugBank DB11745
FDA SRS J8211Y53EF
Guide to Pharmacology 9232
PubChem 10052040
SureChEMBL SCHEMBL1622757
ZINC ZINC000003948997
CONTENTS