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Compound Detail

CHEMBL493651

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O=C1C=C(O)C(=O)c2c(O)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL493651
Phase Preclinical
Structure Type MOL
InChI Key VYGYXAIGQZWAQC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

190.2
MW (Da)
1.21
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H6O4
MW 190.15
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 1.75

Literature References

PubMed DOI Target Context # Activities
38381886 10.1021/acs.jmedchem.3c02107 Protein disulfide-isomerase 2
38381886 10.1021/acs.jmedchem.3c02107 Platelet 2
29735338 10.1016/j.bmcl.2018.04.060 COLO 205 1
29735338 10.1016/j.bmcl.2018.04.060 T47D 1
29735338 10.1016/j.bmcl.2018.04.060 K562 1
38381886 10.1021/acs.jmedchem.3c02107 A549 1
38381886 10.1021/acs.jmedchem.3c02107 MDA-MB-231 1
38381886 10.1021/acs.jmedchem.3c02107 U-87 MG 1
38381886 10.1021/acs.jmedchem.3c02107 RPMI-8226 1
38381886 10.1021/acs.jmedchem.3c02107 EA.hy 926 1

Data from ChEMBL 36 via Core Engine