Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4129653

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1C=C(CO)C(=O)C(Cl)=C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4129653
Phase Preclinical
Structure Type MOL
InChI Key VDEVXSRLKGFPJY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

188.6
MW (Da)
0.07
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.57
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 C7H5ClO4
MW 188.57
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 2.00

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