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Compound Detail

CHEMBL451977

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COc1ccc2c(c1O)C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL451977
Phase Preclinical
Structure Type MOL
InChI Key BYQWRZGQEZAOPQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

254.2
MW (Da)
2.18
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.72
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 C15H10O4
MW 254.24
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.86

Literature References

PubMed DOI Target Context # Activities
7097296 10.1021/np50020a017 P388 1
23454511 10.1016/j.ejmech.2013.01.049 HL-60 1
23454511 10.1016/j.ejmech.2013.01.049 J82 1
23454511 10.1016/j.ejmech.2013.01.049 SK-MES-1 1
23454511 10.1016/j.ejmech.2013.01.049 AGS 1
23454511 10.1016/j.ejmech.2013.01.049 MRC5 1

Data from ChEMBL 36 via Core Engine