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Compound Detail

CHEMBL4592426

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CCCC1C(C(=O)Nc2ccccc2Cl)=C(C)NC2=C1C(=O)CCC2

Basic Information

ChEMBL ID CHEMBL4592426
Phase Preclinical
Structure Type MOL
InChI Key OCEKMNBLSDNCHQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.9
MW (Da)
4.58
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23ClN2O2
MW 358.87
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.19

Activity Summary

EC50 1 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 3
CHEMBL5201
EC50 6.06 6.06 871.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32141297 10.1021/acs.jmedchem.9b02036 Free fatty acid receptor 3 2
32141297 10.1021/acs.jmedchem.9b02036 No relevant target 2

Data from ChEMBL 36 via Core Engine