SURINABANT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: SF8R9VCB0X

Structure
InChI Key HMXDWDSNPRNUKI-UHFFFAOYSA-N
Smile CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1
InChI
InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H23BrCl2N4O
Molecular Weight 522.27
AlogP 6.3
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 50.16
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

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
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Smoking Cessation 2 D016540 ClinicalTrials
Obesity 2 D009765 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 125484
ChEMBL CHEMBL189676
DrugBank DB13070
EPA CompTox DTXSID2047357
FDA SRS SF8R9VCB0X
Guide to Pharmacology 9233
PubChem 9849616
SureChEMBL SCHEMBL675894
ZINC ZINC000001549068
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