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Compound Detail

CHEMBL203227

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COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)c4ccccc4C)cc3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL203227
Phase Preclinical
Structure Type MOL
InChI Key LQEFORQTPQKHOT-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

457.5
MW (Da)
5.31
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.41
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 C26H23N3O5
MW 457.49
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.07

Activity Summary

IC50 4 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor alpha
CHEMBL2007
IC50 8.4 8.26 4.0 2
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 6.63 6.495 234.0 2

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 2
16570914 10.1021/jm0506423 Mast/stem cell growth factor receptor Kit 2
16570914 10.1021/jm0506423 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine