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Compound Detail

CHEMBL4871989

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O=C(Nc1ccccc1)Nc1ccc(Oc2ncnc3cc(N4CCCC4)ccc23)cc1

Basic Information

ChEMBL ID CHEMBL4871989
Phase Preclinical
Structure Type MOL
InChI Key MITAMLFAXYXDFF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
5.67
ALogP
5
HBA
2
HBD
79.4
PSA (Ų)
0.43
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 C25H23N5O2
MW 425.49
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 7.2 7.2 63.0 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