General Information of the Compound
Compound ID
CP0507758
Compound Name
6-(4-methoxyphenyl)-5-methyl-3-(pyridin-4-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
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Synonyms
479077-02-6
6-(4-Methoxyphenyl)-5-methyl-3-(4-pyridinyl)-isoxazolo[ 4,5-c]pyridin-4(5H)-one
6-(4-Methoxyphenyl)-5-methyl-3-(4-pyridyl)isoxazolo[4,5-c]pyridine-4(5H)-one
6-(4-methoxyphenyl)-5-methyl-3-(pyridin-4-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
AKOS015851872
API0008470
BCP23933
BDBM50305877
BN0822
CHEMBL593489
CTK8D4056
DTXSID90433202
GTPL3341
KB-274653
MMPIP
MMPIP, &gt
MolPort-006-069-049
NCGC00378759-01
QC-10186
S14-1930
SCHEMBL3014586
ZINC34042470
mmpip hydrochloride
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Structure
Formula
C19H15N3O3
Molecular Weight
333.347
Canonical SMILES
COc1ccc(cc1)-c1cc2onc(-c3ccncc3)c2c(=O)n1C
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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
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InChIKey
PDWYBOZNEVALOV-UHFFFAOYSA-N
Physicochemical Property
logP
3.2641
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
70.15
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 9945530
SID: 14919986
ChEMBL ID
CHEMBL593489
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03457, Metabotropic glutamate receptor 7
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 26 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( MMPIP )
Drug Name MMPIP
Target(s)
Metabotropic glutamate receptor 7 (mGluR7)
 Target Info 
Modulator (allosteric modulator)