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Compound Detail

CHEMBL5411378

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COc1ccc(-c2cc3c(N(C)Cc4ccccc4)ncnc3[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL5411378
Phase Preclinical
Structure Type MOL
InChI Key RPSRSUPHEANJKD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
4.27
ALogP
4
HBA
1
HBD
54.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N4O
MW 344.42
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.96

Activity Summary

IC50 2 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.89 8.89 1.3 1
Epidermal growth factor receptor
CHEMBL203
IC50 7.14 7.14 73.0 1

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 1
37191268 10.1021/acs.jmedchem.3c00428 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine