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Compound Detail

CHEMBL4129979

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Cc1cc(O)cc2oc3cc(Cl)cc(O)c3c(=O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4129979
Phase Preclinical
Structure Type MOL
InChI Key POPWESKDPILWQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

276.7
MW (Da)
3.32
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.62
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 C14H9ClO4
MW 276.67
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness 0.95

Literature References

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

Data from ChEMBL 36 via Core Engine