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Compound Detail

CHEMBL4877038

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COc1ccc2c(Nc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1

Basic Information

ChEMBL ID CHEMBL4877038
Phase Preclinical
Structure Type MOL
InChI Key WVZMFSHGWPZNOJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
5.03
ALogP
5
HBA
3
HBD
88.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N5O2
MW 385.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.20

Activity Summary

IC50 1 meas. best 6.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 6.91 6.91 124.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34606263 10.1021/acs.jmedchem.1c01006 Macrophage colony-stimulating factor 1 receptor 1
34606263 10.1021/acs.jmedchem.1c01006 Aurora kinase A 1
34606263 10.1021/acs.jmedchem.1c01006 Aurora kinase B 1

Data from ChEMBL 36 via Core Engine