5MV

3-[[4-[(1~{S})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid

Created:	2015-10-23
Last modified:	2016-04-20

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1 entries where 5MV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	68
Chiral Atom Count	1
Bond Count	72
Aromatic Bond Count	28

2D diagram of 5MV

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Chemical Component Summary
Name	3-[[4-[(1~{S})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid
Systematic Name (OpenEye OEToolkits)	3-[[4-[(1~{S})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid
Formula	C₃₂ H₂₇ Cl₂ N₃ O₄
Molecular Weight	588.48
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc2cc(ccc2c1)c3cc(nn3[CH](C)c4ccc(cc4)C(=O)NCCC(O)=O)c5cc(Cl)cc(Cl)c5
SMILES	OpenEye OEToolkits	2.0.4	CC(c1ccc(cc1)C(=O)NCCC(=O)O)n2c(cc(n2)c3cc(cc(c3)Cl)Cl)c4ccc5cc(ccc5c4)OC
Canonical SMILES	CACTVS	3.385	COc1ccc2cc(ccc2c1)c3cc(nn3[C@@H](C)c4ccc(cc4)C(=O)NCCC(O)=O)c5cc(Cl)cc(Cl)c5
Canonical SMILES	OpenEye OEToolkits	2.0.4	C[C@@H](c1ccc(cc1)C(=O)NCCC(=O)O)n2c(cc(n2)c3cc(cc(c3)Cl)Cl)c4ccc5cc(ccc5c4)OC
InChI	InChI	1.03	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
InChIKey	InChI	1.03	DNTVJEMGHBIUMW-IBGZPJMESA-N

Drug Info: DrugBank

DrugBank ID	DB12044 ?
Name	MK-0893
Groups	investigational
Description	MK0893 has been used in trials studying the treatment of Type 2 Diabetes Mellitus and Diabetes Mellitus, Type 2.
Synonyms	MK-0893
Categories	Alanine Amino Acids Amino Acids, Peptides, and Proteins Receptors, Glucagon, antagonists & inhibitors

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1933349
PubChem	11570626
ChEMBL	CHEMBL1933349

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.