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Compound Detail

CHEMBL2023487

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COc1cc(Oc2ncnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc1cn(C)nc1C

Basic Information

ChEMBL ID CHEMBL2023487
Phase Preclinical
Structure Type MOL
InChI Key XBROJUXHWFXTOG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

463.5
MW (Da)
3.67
ALogP
9
HBA
1
HBD
109.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
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 -1.29

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor beta IC50 = 50.0 nM 7.3 Inhibition of PDGFRbeta 22497760

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 Receptor-type tyrosine-protein kinase FLT3 1
22497760 10.1016/j.bmcl.2012.03.074 Vascular endothelial growth factor receptor 2 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine