MK-0249

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: KF50235Q04

Structure
InChI Key DDDZBLNULGDPGA-UHFFFAOYSA-N
Smile Cc1nc2cccc(C(F)(F)F)c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
InChI
InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H24F3N3O2
Molecular Weight 431.46
AlogP 4.58
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 47.36
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INVERSE AGONIST Histamine H3 receptor inverse agonist PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 10000 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 2 1 1-7 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Attention Deficit Disorder with Hyperactivity 2 D001289 ClinicalTrials
Schizophrenia 2 D012559 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Sleep Apnea, Obstructive 2 D020181 ClinicalTrials
Dementia 1 D003704 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL476323
DrugBank DB11910
EPA CompTox DTXSID70151492
FDA SRS KF50235Q04
Guide to Pharmacology 7346
PubChem 11697697
SureChEMBL SCHEMBL119607
ZINC ZINC000038269036
CONTENTS