Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL6023405

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1cc(-c2ccco2)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6023405
Phase Preclinical
Structure Type MOL
InChI Key XFYOEKWEFNNMGB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.8
MW (Da)
4.09
ALogP
6
HBA
1
HBD
86.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13ClN4O3
MW 368.78
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -3.01

Activity Summary

IC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Stearoyl-CoA desaturase 5
CHEMBL1275210
 IC50 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Stearoyl-CoA desaturase 5 IC50 = 20.0 nM 7.7 Compound Profiling Methods: Strains expressing SCD1 or SCD5 as the sole desatura... -

Data from ChEMBL 36 via Core Engine