MK-0557

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Search structure


Synonyms	MK0557 Mk-0557 Mk0557
Status
Molecule Category	UNKNOWN
UNII	HVE36P8422


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

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

Bioactivity

Mechanism of Action	Action	Reference
Neuropeptide Y receptor type 5 antagonist	ANTAGONIST	PubMed PubMed PubMed


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

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	-	1-1	-	2	-

Assay Description	Organism	Bioactivity	Reference
Displacement of [125I]PYY from human recombinant Y5 receptor	Homo sapiens	1.3 nM
Inhibition of rat Y5 receptor	Rattus norvegicus	2.1 nM
Inhibition of [D-Trp34]NPY-induced food intake in Sprague-Dawley rat at 0.3 mg/kg, po treated 2 hrs before [D-Trp34]NPY challenge	Rattus norvegicus	27.0 %
Inhibition of [D-Trp34]NPY-induced food intake in Sprague-Dawley rat at 1 mg/kg, po treated 2 hrs before [D-Trp34]NPY challenge	Rattus norvegicus	43.0 %
Inhibition of [D-Trp34]NPY-induced food intake in Sprague-Dawley rat at 3 mg/kg, po treated 2 hrs before [D-Trp34]NPY challenge	Rattus norvegicus	61.0 %
Inhibition of [D-Trp34]NPY-induced food intake in Sprague-Dawley rat at 10 mg/kg, po treated 2 hrs before [D-Trp34]NPY challenge	Rattus norvegicus	83.0 %
Inhibition of NPY-induced food intake in Sprague-Dawley rat at 10 mg/kg, po treated 2 hrs before [D-Trp34]NPY challenge	Rattus norvegicus	22.0 %
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay	Homo sapiens	1.259 nM
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes	Homo sapiens	1.6 nM

Cross References

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

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).