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Compound Detail

CHEMBL122528

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COc1cc2c(cc1OC)-c1n[nH]c(Nc3cccc(C#N)c3)c1C2

Basic Information

ChEMBL ID CHEMBL122528
Phase Preclinical
Structure Type MOL
InChI Key AMTQDOFBZCKROV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.61
ALogP
5
HBA
2
HBD
83.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N4O2
MW 332.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.14

Activity Summary

IC50 1 meas. best 6.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 6.86 6.86 137.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor beta IC50 = 137.0 nM 6.86 Inhibitory activity against PDGFRbeta kinase 16366598

Literature References

PubMed DOI Target Context # Activities
16366598 10.1021/jm050680m Platelet-derived growth factor receptor beta 1

Data from ChEMBL 36 via Core Engine