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Compound Detail

CHEMBL491078

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CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(OC)nc3)ncc2c1=O

Basic Information

ChEMBL ID CHEMBL491078
Phase Preclinical
Structure Type MOL
InChI Key HBLRDVRCACKNEQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
2.71
ALogP
9
HBA
2
HBD
120.3
PSA (Ų)
0.42
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 C24H22N6O4
MW 458.48
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.53

Activity Summary

IC50 2 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.28 8.28 5.2 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL5570
IC50 7.08 7.08 84.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19193011 10.1021/jm801406h Macrophage colony-stimulating factor 1 receptor 2
19193011 10.1021/jm801406h Liver microsomes 2

Data from ChEMBL 36 via Core Engine