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Compound Detail

CHEMBL3086163

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CN(C)C(=O)c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCC(C)(C)CC2)c1

Basic Information

ChEMBL ID CHEMBL3086163
Phase Preclinical
Structure Type MOL
InChI Key DDWDFHLQVFUKSL-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
3.83
ALogP
4
HBA
2
HBD
101.9
PSA (Ų)
0.83
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 C22H25N5O2
MW 391.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.73

Activity Summary

IC50 2 meas. best 8.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.55 8.55 2.8 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL5570
IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24138939 10.1016/j.bmcl.2013.09.061 Macrophage colony-stimulating factor 1 receptor 2

Data from ChEMBL 36 via Core Engine