Structure

InChI Key VOKSWYLNZZRQPF-UHFFFAOYSA-N
Smile CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C
InChI
InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H27NO
Molecular Weight 285.43
AlogP 3.88
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other membrane protein
- - 3 5-15 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 4 D010146 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials

Related Entries

Scaffolds

Salt
Salt

Cross References

Resources Reference
CAS NUMBER 359-83-1
ChEMBL CHEMBL100116
DrugCentral 3424
FDA SRS RP4A60D26L
PubChem 441278
SureChEMBL SCHEMBL2493