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Compound Detail

CHEMBL104087

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COc1ccc2ncc(Nc3ccccc3)nc2c1

Basic Information

ChEMBL ID CHEMBL104087
Phase Preclinical
Structure Type MOL
InChI Key PVGFBLHZPWPMFD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
3.38
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13N3O
MW 251.29
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.30

Activity Summary

IC50 1 meas. best 7.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2095189
IC50 7.38 7.38 42.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor IC50 = 42.0 nM 7.38 Inhibition of Platelet-derived growth factor receptor 12941341

Literature References

PubMed DOI Target Context # Activities
12941341 10.1016/s0960-894x(03)00654-1 Platelet-derived growth factor receptor 1

Data from ChEMBL 36 via Core Engine