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Compound Detail

CHEMBL1170786

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CN1CC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CN(C)C1=O

Basic Information

ChEMBL ID CHEMBL1170786
Phase Preclinical
Structure Type MOL
InChI Key KTIDYOCMXQLLFW-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
3.57
ALogP
4
HBA
2
HBD
105.1
PSA (Ų)
0.79
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 C23H26N6O2
MW 418.50
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.52

Activity Summary

IC50 3 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 9.3 9.3 0.5 1
Macrophage colony-stimulating factor 1
CHEMBL3638330
IC50 9.0 9.0 1.0 1
Unchecked
CHEMBL612545
IC50 8.66 8.66 2.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20570147 10.1016/j.bmcl.2010.05.013 Unchecked 3
20570147 10.1016/j.bmcl.2010.05.013 Liver microsomes 2
20570147 10.1016/j.bmcl.2010.05.013 Macrophage colony-stimulating factor 1 receptor 1

Data from ChEMBL 36 via Core Engine