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Compound Detail

CHEMBL257664

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CNC(=O)c1cn(Cc2ccccc2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL257664
Phase Preclinical
Structure Type MOL
InChI Key GRYAXXJVCVQDLT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
2.69
ALogP
8
HBA
2
HBD
95.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N7O2
MW 483.58
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.47

Activity Summary

IC50 1 meas. best 6.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 6.38 6.38 420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 420.0 nM 6.38 Inhibition of ATP-induced CSF1R autophosphorylation 18342505

Literature References

PubMed DOI Target Context # Activities
18342505 10.1016/j.bmcl.2008.02.070 Macrophage colony-stimulating factor 1 receptor 1
18342505 10.1016/j.bmcl.2008.02.070 Macrophage 1

Data from ChEMBL 36 via Core Engine