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Compound Detail

CHEMBL226184

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O=C(c1cc2cc(O)ccc2[nH]1)c1cc2cc(O)ccc2o1

Basic Information

ChEMBL ID CHEMBL226184
Phase Preclinical
Structure Type MOL
InChI Key ZKIUEEGLQKCTHN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
3.56
ALogP
4
HBA
3
HBD
86.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11NO4
MW 293.28
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.15

Activity Summary

IC50 2 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 6.7 6.7 200.0 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17210255 10.1016/j.bmc.2006.12.011 Platelet-derived growth factor receptor beta 1
17210255 10.1016/j.bmc.2006.12.011 Receptor-type tyrosine-protein kinase FLT3 1

Data from ChEMBL 36 via Core Engine