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Compound Detail

CHEMBL198642

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COc1cc2c(cc1OC)-c1n[nH]c(Nc3ccc(Cl)cc3Cl)c1C2

Basic Information

ChEMBL ID CHEMBL198642
Phase Preclinical
Structure Type MOL
InChI Key OEYHUXZATDICNL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.2
MW (Da)
5.05
ALogP
4
HBA
2
HBD
59.2
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15Cl2N3O2
MW 376.24
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 5.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 5.27 5.27 5420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor beta IC50 = 5420.0 nM 5.27 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