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Compound Detail

CHEMBL454105

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Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL454105
Phase Preclinical
Structure Type MOL
InChI Key NZCFIQMFQCSIJL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
4.91
ALogP
3
HBA
2
HBD
71.1
PSA (Ų)
0.65
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 C21H16F3N3O2
MW 399.37
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.91

Activity Summary

IC50 1 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 7.5 7.5 32.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 32.0 nM 7.5 Inhibition of CSF1R 18694641

Literature References

PubMed DOI Target Context # Activities
18694641 10.1016/j.bmcl.2008.07.093 Macrophage colony-stimulating factor 1 receptor 1
18694641 10.1016/j.bmcl.2008.07.093 NIH3T3 1

Data from ChEMBL 36 via Core Engine