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Compound Detail

CHEMBL365115

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C=C1CO[C@H]2c3c(cc(O)c4c(=O)c5cccc(OC)c5oc34)O[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL365115
Phase Preclinical
Structure Type MOL
InChI Key IMMOVEYTBYSSOD-LPHOPBHVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

338.3
MW (Da)
3.05
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14O6
MW 338.31
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 2.09

Literature References

PubMed DOI Target Context # Activities
15828838 10.1021/jm049299c COLO 320 1
15828838 10.1021/jm049299c NCI-H522 1
15828838 10.1021/jm049299c HT-29 1
15828838 10.1021/jm049299c MIA PaCa-2 1
15828838 10.1021/jm049299c HeLa 1
15828838 10.1021/jm049299c HepG2 1

Data from ChEMBL 36 via Core Engine