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Compound Detail

CHEMBL5911338

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O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccc3c(c2)OCO3)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5911338
Phase Preclinical
Structure Type MOL
InChI Key NCQNFSRQBWETPO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
3.57
ALogP
7
HBA
1
HBD
91.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N4O4
MW 388.38
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.96

Activity Summary

IC50 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Stearoyl-CoA desaturase 5
CHEMBL1275210
 IC50 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Stearoyl-CoA desaturase 5 IC50 = 30.0 nM 7.52 Compound Profiling Methods: Strains expressing SCD1 or SCD5 as the sole desatura... -

Data from ChEMBL 36 via Core Engine