MK-0893

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: CCP2U6LWTP

Structure
InChI Key DNTVJEMGHBIUMW-IBGZPJMESA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Glucagon receptor antagonist PubMed PubMed
Primary Target
glucagon receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 92000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2B Cytochrome P450 2B6
- 23000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C8
- 2700 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 14000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 60000 - - -
Enzyme Phosphatase Protein Phosphatase Serine/threonine/tyrosine protein phosphatase
- 9200 - - -
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 Gastric inhibitory polypeptide receptor
- 1019 - - -
Membrane receptor Family B G protein-coupled receptor Peptide receptor (family B GPCR) Glucagon-like receptor Glucagon receptor
- 7-80 - 70 12-66
Membrane receptor Family B G protein-coupled receptor Peptide receptor (family B GPCR) Vasoactive intestinal peptide receptor Vasoactive intestinal peptide receptor
- 11580 - - -
Unclassified protein
- 105 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1933349
DrugBank DB12044
EPA CompTox DTXSID40468726
FDA SRS CCP2U6LWTP
Guide to Pharmacology 9135
PDB 5MV
PubChem 11570626
SureChEMBL SCHEMBL675777
ZINC ZINC000068250425
CONTENTS