JNJ-18038683

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Synonyms
Status
Molecule Category Mixture
UNII 9UKQ1NQ8YX

Structure

InChI Key UKJPMZGILXATGT-UHFFFAOYSA-N
Smiles Clc1ccc(-c2nn(Cc3ccccc3)c3c2CCNCC3)cc1
InChI
InChI=1S/C20H20ClN3/c21-17-8-6-16(7-9-17)20-18-10-12-22-13-11-19(18)24(23-20)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H20ClN3
Molecular Weight 337.85
AlogP 3.94
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 29.85
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 7 (5-HT7) receptor antagonist ANTAGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 6-316 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 6.5-100 -
Rattus norvegicus
- - - 6-316 -

Target Conservation

Protein: Serotonin 7 (5-HT7) receptor
Description: 5-hydroxytryptamine receptor 7
Organism : Homo sapiens
P34969 ENSG00000148680

Cross References

Resources Reference
CAS NUMBER 851376-05-1
ChEMBL CHEMBL4205783
FDA SRS 9UKQ1NQ8YX
Guide to Pharmacology 8432
PubChem 11249539
SureChEMBL SCHEMBL2076477
CAS NUMBER 851376-05-1
ChEMBL CHEMBL4297293
FDA SRS 9UKQ1NQ8YX
Guide to Pharmacology 8432
PubChem 11249539
SureChEMBL SCHEMBL2076923
CONTENTS