SURINABANT

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Synonyms
Status
Molecule Category Free-form
UNII SF8R9VCB0X
EPA CompTox DTXSID2047357

Structure

InChI Key HMXDWDSNPRNUKI-UHFFFAOYSA-N
Smiles 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

Mechanism of Action Action Reference
Cannabinoid CB1 receptor antagonist 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
- - - 3.5-442 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 3.5-442 -

Target Conservation

Protein: Cannabinoid CB1 receptor
Description: Cannabinoid receptor 1
Organism : Homo sapiens
P21554 ENSG00000118432

Related Entries

Cross References

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