Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: I18M56OGME

Structure

InChI Key MQTUXRKNJYPMCG-CYBMUJFWSA-N
Smile 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

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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1628569
DrugBank DB06538
EPA CompTox DTXSID30168743
FDA SRS I18M56OGME
Guide to Pharmacology 72
PubChem 3055171
SureChEMBL SCHEMBL115079
ZINC ZINC000003811952