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Compound Detail

CHEMBL295624

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Cc1ccc(C(=O)c2cc(O)c3c(c2)Cc2cccc(O)c2C3=O)cc1

Basic Information

ChEMBL ID CHEMBL295624
Phase Preclinical
Structure Type MOL
InChI Key MYFFZUOYLFSDCY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
3.77
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.54
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 C22H16O4
MW 344.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.55

Activity Summary

IC50 1 meas. best 4.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Liposome
CHEMBL614676
IC50 4.4 4.4 40000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Liposome IC50 = 40000.0 nM 4.4 Inhibition of 2,2'-azobis(2-aminopropane)hydrochloride (AAPH) induced lipid pero... 8201600

Literature References

PubMed DOI Target Context # Activities
8201600 10.1021/jm00037a017 Unchecked 2
8201600 10.1021/jm00037a017 Arachidonate 5-lipoxygenase 1
8201600 10.1021/jm00037a017 Liposome 1
8201600 10.1021/jm00037a017 No relevant target 1

Data from ChEMBL 36 via Core Engine