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Compound Detail

CHEMBL374765

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CC(C)(O)C1CC2=C(O1)C(=O)c1ccccc1C2=O

Basic Information

ChEMBL ID CHEMBL374765
Phase Preclinical
Structure Type MOL
InChI Key JEXUSWQCJDSVMY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
1.88
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H14O4
MW 258.27
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.99

Activity Summary

IC50 1 meas. best 5.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HL-60
CHEMBL383
IC50 5.73 5.73 1850.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HL-60 IC50 = 1850.0 nM 5.73 Cytotoxicity against human promyelocytic leukemia HL60 cell line by MTT assay 17249647

Literature References

PubMed DOI Target Context # Activities
17249647 10.1021/jm060849b HL-60 1
17249647 10.1021/jm060849b No relevant target 1

Data from ChEMBL 36 via Core Engine