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Compound Detail

CHEMBL154542

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CC1(C2CCCC2)Cc2cc(OCc3ccc(C(=O)O)cc3)c(Cl)c(Cl)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL154542
Phase Preclinical
Structure Type MOL
InChI Key YPHXROJGPSUIEQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

433.3
MW (Da)
6.21
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.61
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22Cl2O4
MW 433.33
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.37

Activity Summary

EC50 1 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL5137
 EC50 6.05 6.05 892.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 892.0 nM 6.05 Binding affinity against metabotropic glutamate receptor 2 15745798

Literature References

PubMed DOI Target Context # Activities
7086844 10.1021/jm00347a017 No relevant target 2
7086844 10.1021/jm00347a017 Felis catus 1
15745798 10.1016/j.bmcl.2005.01.077 Metabotropic glutamate receptor 2 1
15745798 10.1016/j.bmcl.2005.01.077 Cell line 1

Data from ChEMBL 36 via Core Engine