Structure

InChI Key HIUPRQPBWVEQJJ-UHFFFAOYSA-N
Smile CC(C)CCC(=O)CC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1
InChI
InChI=1S/C23H22ClN3O2/c1-14(2)7-10-16(28)13-19-17-5-3-4-6-18(17)23(29)27(19)21-12-9-15-8-11-20(24)25-22(15)26-21/h3-6,8-9,11-12,14,19H,7,10,13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H22ClN3O2
Molecular Weight 407.9
AlogP 5.38
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 63.16
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR GABA-A receptor; anion channel positive allosteric modulator

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Premature Ejaculation 2 D061686 ClinicalTrials
Stuttering 2 D013342 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 133737-32-3
ChEMBL CHEMBL2104745
DrugBank DB04903
FDA SRS 38VAG2SA33
PubChem 131664
SureChEMBL SCHEMBL449997