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Compound Detail

CHEMBL2023496

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COc1ccc2c(Oc3cnc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)ccnc2c1

Basic Information

ChEMBL ID CHEMBL2023496
Phase Preclinical
Structure Type MOL
InChI Key FSFLUUXFGRLPMG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
3.66
ALogP
8
HBA
1
HBD
100.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N5O4
MW 433.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.19

Activity Summary

IC50 2 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 7.7 7.7 20.0 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 7.1 7.1 80.0 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 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