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

CHEMBL522356

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
CC(C)(C)n1ncc(OCc2ccc(-c3ccccc3)cc2)c(Cl)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL522356
Phase Preclinical
Structure Type MOL
InChI Key ZBJBSWVWGMADGX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.9
MW (Da)
4.90
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN2O2
MW 368.86
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 7.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.51 7.51 31.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 31.0 nM 7.51 Inhibition of mitochondrial complex 1 in bovine heart mitochondria assessed as e... 18422306

Literature References

PubMed DOI Target Context # Activities
18422306 10.1021/jm701443n Unchecked 1

Data from ChEMBL 36 via Core Engine