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Compound Detail

CHEMBL5842076

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O=C(Nc1cnn(Cc2cc(F)ccc2C(F)(F)F)c1)c1cc(-c2ccco2)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5842076
Phase Preclinical
Structure Type MOL
InChI Key CRGOBSCYQOGMIM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.3
MW (Da)
4.59
ALogP
6
HBA
1
HBD
86.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12F4N4O3
MW 420.32
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -2.72

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Stearoyl-CoA desaturase 5
CHEMBL1275210
 IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Stearoyl-CoA desaturase 5 IC50 = 10.0 nM 8.0 Compound Profiling Methods: Strains expressing SCD1 or SCD5 as the sole desatura... -

Data from ChEMBL 36 via Core Engine