Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: GT0I9SV4F6

Structure

InChI Key ZFPZEYHRWGMJCV-ZHALLVOQSA-N
Smile COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1
InChI
InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23NO3
Molecular Weight 313.4
AlogP 2.72
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 49.77
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Metabotropic glutamate receptor 5 antagonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Obsessive-Compulsive Disorder 2 D009771 ClinicalTrials
Chorea 2 D002819 ClinicalTrials
Fragile X Syndrome 2 D005600 ClinicalTrials
Huntington Disease 2 D006816 ClinicalTrials
Cocaine-Related Disorders 2 D019970 ClinicalTrials
Parkinson Disease 2 D010300 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Gastroesophageal Reflux 1 D005764 ClinicalTrials
Alcohol Drinking 1 D000428 ClinicalTrials
Alcoholism 0 D000437 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3087515
DrugBank DB13004
EPA CompTox DTXSID30202777
FDA SRS GT0I9SV4F6
Guide to Pharmacology 7586
PDB 2U8
SureChEMBL SCHEMBL989279
ZINC ZINC000003817189