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Compound Detail

CHEMBL5417719

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Cc1cccc(CN(C)c2ncnc3[nH]c(-c4ccc(C(F)(F)F)cc4)cc23)c1

Basic Information

ChEMBL ID CHEMBL5417719
Phase Preclinical
Structure Type MOL
InChI Key QTAKSHGRTOYJCG-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
5.59
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19F3N4
MW 396.42
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.38

Activity Summary

IC50 3 meas. best 8.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.31 7.0467 4.9 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37191268 10.1021/acs.jmedchem.3c00428 Macrophage colony-stimulating factor 1 receptor 3
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