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

CHEMBL493612

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(F)CCc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL493612
Phase Preclinical
Structure Type MOL
InChI Key MBOUAMRPAMORPE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

366.9
MW (Da)
4.52
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24ClFN2O2
MW 366.86
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 10.0 nM 8.0 Inhibition of mitochondrial complex 1 in bovine heart mitochondria assessed as e... 18422306

Literature References

PubMed DOI Target Context # Activities
18422306 10.1021/jm701443n ADMET 4
18422306 10.1021/jm701443n Heart 2
18422306 10.1021/jm701443n Lung 2
18422306 10.1021/jm701443n Liver 2
18422306 10.1021/jm701443n Femur 2
18422306 10.1021/jm701443n Blood 2
18422306 10.1021/jm701443n Unchecked 1

Data from ChEMBL 36 via Core Engine