MK-0557

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: HVE36P8422

Structure
InChI Key RMYZIRFUCOMQRH-CAJLXGCNSA-N
Smile O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21
InChI
InChI=1S/C22H19FN4O3/c23-17-3-1-2-4-18(17)27-12-8-19(26-27)25-20(28)14-5-9-22(10-6-14)16-13-24-11-7-15(16)21(29)30-22/h1-4,7-8,11-14H,5-6,9-10H2,(H,25,26,28)/t14-,22-

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H19FN4O3
Molecular Weight 406.42
AlogP 3.6
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 86.11
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Neuropeptide Y receptor type 5 antagonist PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neuropeptide Y receptor
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Obesity 3 D009765 ClinicalTrials
Schizophrenia 2 D012559 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL595573
DrugBank DB12168
FDA SRS HVE36P8422
PubChem 11491176
SureChEMBL SCHEMBL12674643
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