MK-3577

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Search structure


Synonyms	Mk-3577
Status
Molecule Category	UNKNOWN
UNII	03TW1410NL


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

Structure


InChI Key	FYRJJCYFYLLOSC-LXFBAYGMSA-N
Smiles	CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)[C@H](c1ccc(Cl)cc1)c1c[nH]c2c(F)cc(C)cc12
InChI	InChI=1S/C30H30ClFN2O3/c1-3-4-23(19-5-7-21(8-6-19)30(37)33-14-13-27(35)36)28(20-9-11-22(31)12-10-20)25-17-34-29-24(25)15-18(2)16-26(29)32/h5-12,15-17,23,28,34H,3-4,13-14H2,1-2H3,(H,33,37)(H,35,36)/t23-,28+/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C30H30ClFN2O3
Molecular Weight	521.03
AlogP	7.19
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	10.0
Polar Surface Area	82.19
Molecular species	ACID
Aromatic Rings	4.0
Heavy Atoms	37.0

Bioactivity

Mechanism of Action	Action	Reference
Glucagon receptor antagonist	ANTAGONIST	PubMed


Protein: Glucagon receptor Description: Glucagon receptor Organism : Homo sapiens P47871 ENSG00000215644

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family B G protein-coupled receptor Peptide receptor (family B GPCR) Glucagon-like receptor Glucagon receptor	-	-	-	4	-

Assay Description	Organism	Bioactivity	Reference
Displacement of [125I]Glucagon-Cex from human GCGR	Homo sapiens	4.0 nM
In vivo inhibition of gucagon receptor in type-2 diabetic human model at 25 mg, bid measured over 24 hrs relative to control	Homo sapiens	80.0 %
In vivo inhibition of gucagon receptor in type-2 diabetic human model at 10 mg, qd measured during day time relative to control	Homo sapiens	50.0 %
In vivo inhibition of gucagon receptor in type-2 diabetic human model at 6 mg, qd measured during night time relative to control	Homo sapiens	50.0 %

Cross References

Resources	Reference
ChEMBL	CHEMBL1933350
DrugBank	DB14957
FDA SRS	03TW1410NL
PubChem	46240797
SureChEMBL	SCHEMBL826813
ZINC	ZINC000073389642

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).