Structure

InChI Key RECBFDWSXWAXHY-IAGOWNOFSA-N
Smile Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1
InChI
InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23FN4O2
Molecular Weight 358.42
AlogP 3.19
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 67.35
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Glutamate NMDA receptor; GRIN1/GRIN2B antagonist PubMed Other PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder, Major 2 D003865 ClinicalTrials
Depressive Disorder 1 D003866 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2068839
DrugBank DB12063
FDA SRS 5HAM167S5T
PubChem 11394238
SureChEMBL SCHEMBL4469674
ZINC ZINC000006716889