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Compound Detail

CHEMBL206915

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COc1ccc2[nH]c(C(=O)c3cc4ccc(Cl)cc4[nH]3)cc2c1

Basic Information

ChEMBL ID CHEMBL206915
Phase Preclinical
Structure Type MOL
InChI Key KIMDGYAOGPHBKP-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

324.8
MW (Da)
4.54
ALogP
2
HBA
2
HBD
57.9
PSA (Ų)
0.54
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 C18H13ClN2O2
MW 324.77
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.82

Activity Summary

IC50 4 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 7.26 7.26 55.0 1
Platelet-derived growth factor receptor
CHEMBL2096980
IC50 6.7 6.7 200.0 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.03 4.825 9400.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16722630 10.1021/jm058033i Receptor-type tyrosine-protein kinase FLT3 2
16722630 10.1021/jm058033i Platelet-derived growth factor receptor 1
16722630 10.1021/jm058033i Platelet-derived growth factor receptor beta 1

Data from ChEMBL 36 via Core Engine