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Compound Detail

CHEMBL399932

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NC(=O)c1cnc2cc(-c3ccncc3)ccc2c1Nc1ccc(OC(F)(F)F)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL399932
Phase Preclinical
Structure Type MOL
InChI Key OMOGUFMUUGHDFX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

458.8
MW (Da)
5.69
ALogP
5
HBA
2
HBD
90.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H14ClF3N4O2
MW 458.83
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.33

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 cfms 17870531

Literature References

PubMed DOI Target Context # Activities
17870531 10.1016/j.bmcl.2007.09.009 Macrophage colony-stimulating factor 1 receptor 1
17870531 10.1016/j.bmcl.2007.09.009 NON-PROTEIN TARGET 1
17870531 10.1016/j.bmcl.2007.09.009 NSO 1

Data from ChEMBL 36 via Core Engine