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Compound Detail

CHEMBL4460257

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CC(C)(C)/[N+]([O-])=C/c1ccc(F)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4460257
Phase Preclinical
Structure Type MOL
InChI Key UDGLEOVYEDTMAT-AUWJEWJLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

213.2
MW (Da)
2.69
ALogP
1
HBA
0
HBD
26.1
PSA (Ų)
0.30
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 C11H13F2NO
MW 213.23
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 4.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Retinoid isomerohydrolase
CHEMBL4523306
 IC50 4.3 4.3 50000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Retinoid isomerohydrolase IC50 = 50000.0 nM 4.3 Inhibition of RPE65 in bovine RPE microsomes assessed as reduction in isomero-hy... -

Data from ChEMBL 36 via Core Engine