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Compound Detail

CHEMBL4513816

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CC1=C(C(=O)Nc2ccccc2C)C(C2CCCC2)C2=C(CCCC2=O)N1

Basic Information

ChEMBL ID CHEMBL4513816
Phase Preclinical
Structure Type MOL
InChI Key FTXMZBSYRAZADP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
4.62
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N2O2
MW 364.49
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.04

Activity Summary

EC50 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 3
CHEMBL5201
EC50 6.54 6.54 288.4 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

Data from ChEMBL 36 via Core Engine