GSK239512

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Synonyms
Status
Molecule Category Free-form
UNII 4I7U5C459M

Structure

InChI Key YFRBKEVUUCQYOW-UHFFFAOYSA-N
Smiles O=C1CCCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1
InChI
InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H27N3O2
Molecular Weight 377.49
AlogP 3.95
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 45.67
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Histamine H3 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 Histamine receptor
- - - 0.1-10 -
Secreted protein
- - - - 75
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 0.1-10 75
Rattus norvegicus
15 - - 0.1479-0.3631 -

Target Conservation

Protein: Histamine H3 receptor
Description: Histamine H3 receptor
Organism : Homo sapiens
Q9Y5N1 ENSG00000101180

Cross References

Resources Reference
ChEMBL CHEMBL3092650
DrugBank DB15120
FDA SRS 4I7U5C459M
SureChEMBL SCHEMBL167578
ZINC ZINC000003961802
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