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Compound Detail

CHEMBL5405639

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CN(Cc1ccccc1)c1ncnc2[nH]c(-c3ccccc3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5405639
Phase Preclinical
Structure Type MOL
InChI Key XDCJXTNEYNEENX-UHFFFAOYSA-N
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
4.26
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N4
MW 314.39
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.99

Activity Summary

IC50 4 meas. best 7.82
Kd 1 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 7.82 7.79 15.0 4
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 Kd 7.28 7.28 52.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 15.0 nM 7.82 Inhibition of CSF1R (unknown origin) using FRET-peptide as substrate incubated i... 37141705
Macrophage colony-stimulating factor 1 receptor IC50 = 15.0 nM 7.82 Inhibition of CSF1R (530 to 910 residues) (unknown origin) 37191268
Macrophage colony-stimulating factor 1 receptor IC50 = 15.0 nM 7.82 Inhibition of CSF1R (unknown origin) using EEEIYGEFE as substrate in presence of... 38141285
Macrophage colony-stimulating factor 1 receptor IC50 = 20.0 nM 7.7 Inhibition of CSF1R (unknown origin) using ultra ULight GT peptide as substrate ... 38141285
Macrophage colony-stimulating factor 1 receptor Kd = 52.0 nM 7.28 Binding affinity to autoinhibited CSF1R (538 to 939) (unknown origin) expressed ... 37191268

Literature References

PubMed DOI Target Context # Activities
37191268 10.1021/acs.jmedchem.3c00428 Macrophage colony-stimulating factor 1 receptor 3
38141285 10.1016/j.ejmech.2023.116053 Macrophage colony-stimulating factor 1 receptor 2
37141705 10.1016/j.ejmech.2023.115344 Macrophage colony-stimulating factor 1 receptor 1
37191268 10.1021/acs.jmedchem.3c00428 Epidermal growth factor receptor 1
38141285 10.1016/j.ejmech.2023.116053 No relevant target 1

Data from ChEMBL 36 via Core Engine