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Compound Detail

CHEMBL200774

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COc1cc2c(cc1OC)-c1n[nH]c(Nc3ccccc3Cl)c1C2

Basic Information

ChEMBL ID CHEMBL200774
Phase Preclinical
Structure Type MOL
InChI Key VRWBHMNKSMAWII-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.8
MW (Da)
4.40
ALogP
4
HBA
2
HBD
59.2
PSA (Ų)
0.58
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 C18H16ClN3O2
MW 341.80
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.91

Activity Summary

IC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor beta IC50 = 110.0 nM 6.96 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