MK-0893

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Synonyms
Status
Molecule Category Free-form
UNII CCP2U6LWTP
EPA CompTox DTXSID40468726

Structure

InChI Key DNTVJEMGHBIUMW-IBGZPJMESA-N
Smiles COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1
InChI
InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H27Cl2N3O4
Molecular Weight 588.49
AlogP 7.5
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 93.45
Molecular species ACID
Aromatic Rings 5.0
Heavy Atoms 41.0

Pharmacology

Mechanism of Action Action Reference
Glucagon receptor antagonist ANTAGONIST PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - -
Membrane receptor Family B G protein-coupled receptor Peptide receptor (family B GPCR) Glucagon-like receptor Glucagon receptor
- 6.6-727 - 70 12-66
Unclassified protein
- 55.5-104.5 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- 104.5 - - -
Homo sapiens
- 6.6-80 - 70 12-100
Macaca mulatta
- 55.5 - - -
Mus musculus
- 122 - - -
Rattus norvegicus
- 727 - - -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL1933349
DrugBank DB12044
FDA SRS CCP2U6LWTP
Guide to Pharmacology 9135
PDB 5MV
PubChem 11570626
SureChEMBL SCHEMBL675777
ZINC ZINC000068250425
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