LECOZOTAN HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII 23EDE20K1X
EPA CompTox DTXSID20195826

Structure

InChI Key GXYZREDEYDFJPT-ZMBIFBSDSA-N
Smiles C[C@H](CN(C(=O)c1ccc(C#N)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1.Cl
InChI
InChI=1S/C28H29N5O3.ClH/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23;/h2-12,21H,13-18,20H2,1H3;1H/t21-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H30ClN5O3
Molecular Weight 520.03
AlogP 3.58
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 6.0
Polar Surface Area 81.93
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 36.0

Pharmacology

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

Target Conservation

Protein: Serotonin 1a (5-HT1a) receptor
Description: 5-hydroxytryptamine receptor 1A
Organism : Homo sapiens
P08908 ENSG00000178394

Cross References

Resources Reference
ChEMBL CHEMBL2107349
FDA SRS 23EDE20K1X
PubChem 11156648
SureChEMBL SCHEMBL1036321
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