DEXANABINOL

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: R6VT8U5372

Structure
InChI Key SSQJFGMEZBFMNV-PMACEKPBSA-N
Smile 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 - - 0-150 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Brain Injuries 3 D001930 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Brain Neoplasms 1 D001932 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 112924-45-5
ChEMBL CHEMBL334533
DrugBank DB06444
EPA CompTox DTXSID40150235
FDA SRS R6VT8U5372
PubChem 107778
SureChEMBL SCHEMBL1649687
ZINC ZINC000003799010
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