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Compound Detail

CHEMBL380703

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COc1cc2nccc(Oc3ccc(NC(=O)Oc4ccccc4)cc3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL380703
Phase Preclinical
Structure Type MOL
InChI Key KVDZJYLUBBYJIX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
5.66
ALogP
6
HBA
1
HBD
78.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20N2O5
MW 416.43
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.70

Activity Summary

IC50 2 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor alpha
CHEMBL2007
IC50 8.3 8.3 5.0 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 7.72 7.72 19.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16570914 10.1021/jm0506423 Platelet-derived growth factor receptor alpha 1
16570914 10.1021/jm0506423 Mast/stem cell growth factor receptor Kit 1

Data from ChEMBL 36 via Core Engine