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Compound Detail

CHEMBL562036

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O=C(Nc1ccc2c(c1)OCO2)c1ccccn1

Basic Information

ChEMBL ID CHEMBL562036
Phase Preclinical
Structure Type MOL
InChI Key QFORJOQLCRHFAV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

242.2
MW (Da)
2.06
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10N2O3
MW 242.23
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.58

Activity Summary

EC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
EC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19469556 10.1021/jm9005065 Metabotropic glutamate receptor 4 6
- 10.6019/CHEMBL4888484 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine