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Compound Detail

CHEMBL431818

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COc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1OC

Basic Information

ChEMBL ID CHEMBL431818
Phase Preclinical
Structure Type MOL
InChI Key GITRKILOUAEMSZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.46
ALogP
7
HBA
0
HBD
71.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O5
MW 342.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.57

Activity Summary

IC50 1 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL4125
IC50 6.24 6.24 570.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10117-2 Platelet-derived growth factor receptor beta 1
- 10.1016/S0960-894X(97)10117-2 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine