MK-0557

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Synonyms
Status
Molecule Category Free-form
UNII HVE36P8422

Structure

InChI Key RMYZIRFUCOMQRH-CAJLXGCNSA-N
Smiles 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

Mechanism of Action Action Reference
Neuropeptide Y receptor type 5 antagonist 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
- 1.259-2.1 - 1.6 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1.259-1.3 - 1.6 -
Rattus norvegicus
- 2.1 - - 22-83

Target Conservation

Protein: Neuropeptide Y receptor type 5
Description: Neuropeptide Y receptor type 5
Organism : Homo sapiens
Q15761 ENSG00000164129

Cross References

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