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Compound Detail

CHEMBL459674

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O=C(Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1)c1cc(Cl)cc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL459674
Phase Preclinical
Structure Type MOL
InChI Key DEQVGBYJEVEQAE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.7
MW (Da)
5.55
ALogP
3
HBA
2
HBD
71.1
PSA (Ų)
0.58
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12Cl3N3O2
MW 420.68
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.90

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 3.0 nM 8.52 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