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Compound Detail

CHEMBL5532567

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O=C(NC(Cc1ccc(OC(F)(F)F)cc1)C(=O)O)c1cccc(OCc2cccnc2)c1

Basic Information

ChEMBL ID CHEMBL5532567
Phase Preclinical
Structure Type MOL
InChI Key BDDVZGKIEPUAGZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.4
MW (Da)
3.98
ALogP
5
HBA
2
HBD
97.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19F3N2O5
MW 460.41
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.99

Activity Summary

EC50 2 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Probable G-protein coupled receptor 132
CHEMBL3085618
EC50 5.48 5.48 3311.3 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38917049 10.1021/acs.jmedchem.3c02164 Probable G-protein coupled receptor 132 3
38917049 10.1021/acs.jmedchem.3c02164 Guanine nucleotide-binding protein subunit alpha-11 1

Data from ChEMBL 36 via Core Engine