DEXANABINOL

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Synonyms
Status
Molecule Category Free-form
UNII R6VT8U5372
EPA CompTox DTXSID40150235

Structure

InChI Key SSQJFGMEZBFMNV-PMACEKPBSA-N
Smiles CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(CO)C[C@H]21
InChI
InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H38O3
Molecular Weight 386.58
AlogP 6.22
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 49.69
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

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
0.2512-0.6 - - 0.15-360 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
0.2512-0.6 - - 0.15-150 -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL334533
DrugBank DB06444
FDA SRS R6VT8U5372
PubChem 107778
SureChEMBL SCHEMBL1649687
ZINC ZINC000003799010
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