GSK189254

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5T4TX6CO53

Structure
InChI Key WROHEWWOCPRMIA-UHFFFAOYSA-N
Smile CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1
InChI
InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25N3O2
Molecular Weight 351.45
AlogP 3.19
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 54.46
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H3 receptor antagonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 36
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 1 - 0-0 -
Secreted protein
- - - - 60

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Narcolepsy 2 D009290 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL517140
FDA SRS 5T4TX6CO53
Guide to Pharmacology 10736
SureChEMBL SCHEMBL169579
ZINC ZINC000003961799
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