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Compound Detail

CHEMBL4127441

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O=C1C=CC(=O)C(CO)=C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4127441
Phase Preclinical
Structure Type MOL
InChI Key MTRBCJLZPRDOGJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

138.1
MW (Da)
-0.39
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.50
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 C7H6O3
MW 138.12
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 2.48

Literature References

PubMed DOI Target Context # Activities
28409637 10.1021/acs.jnatprod.6b01069 MCF7 1
28409637 10.1021/acs.jnatprod.6b01069 HT-29 1

Data from ChEMBL 36 via Core Engine