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Compound Detail

CHEMBL430053

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CC(C)c1ccc2c(c1)NC(=O)CC(c1cccc(-n3ccnn3)c1)=N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL430053
Phase Preclinical
Structure Type MOL
InChI Key KMAYCBMPGJSAQM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
3.85
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N5O
MW 345.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 IC50 6.33 6.33 466.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 IC50 = 466.0 nM 6.33 Displacement of [3H]LY354740 from rat mGluR2 18374569

Literature References

PubMed DOI Target Context # Activities
18374569 10.1016/j.bmcl.2008.02.076 Metabotropic glutamate receptor 2 2

Data from ChEMBL 36 via Core Engine