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Compound Detail

CHEMBL4129112

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COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c(O)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4129112
Phase Preclinical
Structure Type MOL
InChI Key DSJPUSRRLBBBAS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

338.7
MW (Da)
3.01
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H15ClO6
MW 338.74
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.18

Literature References

PubMed DOI Target Context # Activities
28409637 10.1021/acs.jnatprod.6b01069 MCF7 1
28409637 10.1021/acs.jnatprod.6b01069 HT-29 1
31359750 10.1021/acs.jnatprod.9b00151 L5178Y 1
31359750 10.1021/acs.jnatprod.9b00151 A2780 1

Data from ChEMBL 36 via Core Engine