ORG-25935

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 55L20667O4

Structure
InChI Key UEBBYLJZCHTLEG-UTKZUKDTSA-N
Smile COc1ccc2c(c1)CC[C@H](CN(C)CC(=O)O)[C@@H]2c1ccccc1
InChI
InChI=1S/C21H25NO3/c1-22(14-20(23)24)13-17-9-8-16-12-18(25-2)10-11-19(16)21(17)15-6-4-3-5-7-15/h3-7,10-12,17,21H,8-9,13-14H2,1-2H3,(H,23,24)/t17-,21+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25NO3
Molecular Weight 339.44
AlogP 3.41
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 49.77
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Glycine transporter 1 inhibitor PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alcoholism 2 D000437 ClinicalTrials
Panic Disorder 2 D016584 ClinicalTrials
Schizophrenia 2 D012559 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4228124
DrugBank DB12220
FDA SRS 55L20667O4
PubChem 11717074
SureChEMBL SCHEMBL1761267
ZINC ZINC000034640491
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