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Quick search ChEMBL 36
Compound Detail

CHEMBL4563763

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CC(C)(C)/[N+]([O-])=C/c1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4563763
Phase Preclinical
Structure Type MOL
InChI Key SNWHLSIUZACNST-PXNMLYILSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

245.2
MW (Da)
3.43
ALogP
1
HBA
0
HBD
26.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14F3NO
MW 245.24
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.72

Activity Summary

IC50 1 meas. best 4.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Retinoid isomerohydrolase
CHEMBL4523306
 IC50 4.22 4.22 60000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Retinoid isomerohydrolase IC50 = 60000.0 nM 4.22 Inhibition of RPE65 in bovine RPE microsomes assessed as reduction in isomero-hy... -

Literature References

PubMed DOI Target Context # Activities
38218126 10.1016/j.ejmech.2024.116133 No relevant target 4
38218126 10.1016/j.ejmech.2024.116133 Unchecked 2
38218126 10.1016/j.ejmech.2024.116133 Neuron 2

Data from ChEMBL 36 via Core Engine