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Compound Detail

CHEMBL578988

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O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@H]1C(=O)O

Basic Information

ChEMBL ID CHEMBL578988
Phase Preclinical
Structure Type MOL
InChI Key VSMUYYFJVFSVCA-NWDGAFQWSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

316.2
MW (Da)
3.82
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.89
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 C14H15Cl2NO3
MW 316.18
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.07

Activity Summary

EC50 2 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 6.13 6.125 740.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19640716 10.1016/j.bmcl.2009.07.072 Metabotropic glutamate receptor 4 2
21688779 10.1021/jm200290z Metabotropic glutamate receptor 4 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine