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Compound Detail

CHEMBL461952

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COc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1

Basic Information

ChEMBL ID CHEMBL461952
Phase Preclinical
Structure Type MOL
InChI Key QQNYXAGTHKTAIZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

381.8
MW (Da)
4.25
ALogP
4
HBA
2
HBD
80.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16ClN3O3
MW 381.82
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.86

Activity Summary

IC50 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.05 8.05 9.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 9.0 nM 8.05 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