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Compound Detail

CHEMBL4128684

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O=C1C(CO)=C[C@@H](O)[C@@H](O)[C@H]1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4128684
Phase Preclinical
Structure Type MOL
InChI Key JUFBJBDOBZYSDT-JCGDXUMPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

192.6
MW (Da)
-1.18
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.46
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 C7H9ClO4
MW 192.60
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 2.52

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