Details of the Drug

General Information of Drug (ID: DMWMZL7)

Drug Name

MMPIP

Synonyms

mmpip hydrochloride; 479077-02-6; CHEMBL593489; 6-(4-methoxyphenyl)-5-methyl-3-(pyridin-4-yl)isoxazolo[4,5-c]pyridin-4(5H)-one; GTPL3341; SCHEMBL3014586; CTK8D4056; DTXSID90433202; MolPort-006-069-049; MMPIP, > BCP23933; BDBM50305877; ZINC34042470; BN0822; AKOS015851872; API0008470; NCGC00378759-01; QC-10186; KB-274653; S14-1930; 6-(4-Methoxyphenyl)-5-methyl-3-(4-pyridyl)isoxazolo[4,5-c]pyridine-4(5H)-one; 6-(4-Methoxyphenyl)-5-methyl-3-(4-pyridinyl)-isoxazolo[ 4,5-c]pyridin-4(5H)-one

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

333.3

Topological Polar Surface Area (xlogp)

2.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C19H15N3O3
IUPAC Name: 6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
Canonical SMILES: CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=NC=C3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C19H15N3O3/c1-22-15(12-3-5-14(24-2)6-4-12)11-16-17(19(22)23)18(21-25-16)13-7-9-20-10-8-13/h3-11H,1-2H3
InChIKey: PDWYBOZNEVALOV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9945530
CAS Number: 479077-02-6
TTD ID: D08UOW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 7 (mGluR7)	TT0I76D	GRM7_HUMAN	Modulator (allosteric modulator)	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3341).
2	Context-dependent pharmacology exhibited by negative allosteric modulators of metabotropic glutamate receptor 7. Mol Pharmacol. 2010 Mar;77(3):459-68.
3	Binding of [3H](2S,1'S,2'S)-2-(9-xanthylmethyl)-2-(2'-carboxycyclopropyl) glycine ([3H]LY341495) to cell membranes expressing recombinant human group III metabotropic glutamate receptor subtypes. Naunyn Schmiedebergs Arch Pharmacol. 2000 Dec;362(6):546-54.
4	Excitatory amino acid receptor ligands: resolution, absolute stereochemistry, and enantiopharmacology of 2-amino-3-(4-butyl-3-hydroxyisoxazol-5-yl)... J Med Chem. 1998 Mar 12;41(6):930-9.