Synonyms
Status
Molecule Category Free-form
UNII I18M56OGME
EPA CompTox DTXSID30168743

Structure

InChI Key MQTUXRKNJYPMCG-CYBMUJFWSA-N
Smiles NC(=O)c1ccc(F)c2c1C[C@@H](N(C1CCC1)C1CCC1)CO2
InChI
InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)/t13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23FN2O2
Molecular Weight 318.39
AlogP 2.64
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 55.56
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 1a (5-HT1a) receptor antagonist ANTAGONIST PubMed PubMed Wikipedia

Target Conservation

Protein: Serotonin 1a (5-HT1a) receptor

Description: 5-hydroxytryptamine receptor 1A

Organism : Homo sapiens

P08908 ENSG00000178394

Cross References

Resources Reference
ChEMBL CHEMBL1628569
DrugBank DB06538
FDA SRS I18M56OGME
Guide to Pharmacology 72
PubChem 3055171
SureChEMBL SCHEMBL115079
ZINC ZINC000003811952