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Compound Detail

CHEMBL2023115

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CCn1cc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2OC)cn1

Basic Information

ChEMBL ID CHEMBL2023115
Phase Preclinical
Structure Type MOL
InChI Key CZSOWVHBIBQBJU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

463.5
MW (Da)
3.85
ALogP
9
HBA
1
HBD
109.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N5O5
MW 463.49
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.53

Activity Summary

IC50 2 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 8.52 8.52 3.0 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22497760 10.1016/j.bmcl.2012.03.074 Platelet-derived growth factor receptor beta 1
22497760 10.1016/j.bmcl.2012.03.074 Macrophage colony-stimulating factor 1 receptor 1
22497760 10.1016/j.bmcl.2012.03.074 Vascular endothelial growth factor receptor 2 1
22497760 10.1016/j.bmcl.2012.03.074 Receptor-type tyrosine-protein kinase FLT3 1

Data from ChEMBL 36 via Core Engine