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Compound Detail

CHEMBL5416772

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COC(=O)c1ccc(-c2cc3c(N(C)Cc4cccc(C)c4)ncnc3[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL5416772
Phase Preclinical
Structure Type MOL
InChI Key BMOJVCOEERFCML-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
4.36
ALogP
5
HBA
1
HBD
71.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N4O2
MW 386.46
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.09

Activity Summary

IC50 3 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.4 7.13 4.0 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