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Compound Detail

CHEMBL5398778

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Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccccc4)cc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5398778
Phase Preclinical
Structure Type MOL
InChI Key HTIDNHAPXRJLIE-UHFFFAOYSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
4.57
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N4
MW 328.42
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.23

Activity Summary

IC50 5 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 8.74 8.4125 1.8 4
BaF3
CHEMBL614524
 IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 1.8 nM 8.74 Inhibition of CSF1R (unknown origin) in presence of ATP by Z-LYTE based FRET ass... 37191268
Macrophage colony-stimulating factor 1 receptor IC50 = 1.8 nM 8.74 Inhibition of CSF1R (unknown origin) using EEEIYGEFE as substrate in presence of... 38141285
Macrophage colony-stimulating factor 1 receptor IC50 = 4.0 nM 8.4 Inhibition of CSF1R (unknown origin) using ultra ULight GT peptide as substrate ... 38141285
Macrophage colony-stimulating factor 1 receptor IC50 = 17.0 nM 7.77 Inhibition of CSF1R (unknown origin) using ultra ULight GT peptide as substrate ... 37191268
BaF3 IC50 = 100.0 nM 7.0 Cytotoxicity against IL-3-dependent mouse BaF3 cells assessed as reduction in ce... 38141285

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
37191268 10.1021/acs.jmedchem.3c00428 Epidermal growth factor receptor 1
38141285 10.1016/j.ejmech.2023.116053 No relevant target 1
38141285 10.1016/j.ejmech.2023.116053 BaF3 1

Data from ChEMBL 36 via Core Engine