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Compound Detail

CHEMBL109895

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COc1ccc(CC2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109895
Phase Preclinical
Structure Type MOL
InChI Key KALJCBLRPOLMJV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
4.03
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18O4
MW 346.38
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.63

Literature References

PubMed DOI Target Context # Activities
9873705 10.1016/s0960-894x(98)00580-0 ADMET 2
9873705 10.1016/s0960-894x(98)00580-0 No relevant target 1
9873705 10.1016/s0960-894x(98)00580-0 Unchecked 1

Data from ChEMBL 36 via Core Engine