Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: PDQ3ME68U3

Structure

InChI Key RDJQCOBTKKAQAH-FPOVZHCZSA-N
Smile CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2
InChI
InChI=1S/C22H26ClNO4/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3/t19-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H26ClNO4
Molecular Weight 403.91
AlogP 3.46
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 67.79
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Anxiety 3 D001007 ClinicalTrials
Depressive Disorder, Major 3 D003865 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1193948
DrugBank DB05395
FDA SRS PDQ3ME68U3
Guide to Pharmacology 568
PubChem 3035442
SureChEMBL SCHEMBL2052478
ZINC ZINC000003797401