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Compound Detail

CHEMBL5399225

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O=C(Nc1cc(C(F)(F)F)cc(NC(=O)C(=O)OC2CCC2)c1Cl)C(=O)OC1CCC1

Basic Information

ChEMBL ID CHEMBL5399225
Phase Preclinical
Structure Type MOL
InChI Key QOGSVUYQTBSGSM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.8
MW (Da)
3.43
ALogP
6
HBA
2
HBD
110.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClF3N2O6
MW 462.81
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.51

Activity Summary

EC50 2 meas. best 7.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 35
CHEMBL2390813
EC50 7.02 7.02 94.7 1
G-protein coupled receptor 35
CHEMBL1293267
EC50 7.01 7.01 98.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37976806 10.1016/j.bmc.2023.117511 G-protein coupled receptor 35 4

Data from ChEMBL 36 via Core Engine