GSK239512

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4I7U5C459M

Structure
InChI Key YFRBKEVUUCQYOW-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 45.67
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H3 receptor 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
- - - 0-10 -
Secreted protein
- - - - 75

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 2 D000544 ClinicalTrials
Multiple Sclerosis, Relapsing-Remitting 2 D020529 ClinicalTrials
Schizophrenia 2 D012559 ClinicalTrials
Multiple Sclerosis 1 D009103 ClinicalTrials
Dementia 1 D003704 ClinicalTrials

Related Entries

Scaffolds

Cross References

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