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Compound Detail

CHEMBL109634

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O=C1c2c(O)cccc2C(CCc2ccc(O)c(O)c2)c2cccc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109634
Phase Preclinical
Structure Type MOL
InChI Key GGWSTYDTYLYPEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
3.82
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.53
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 C22H18O5
MW 362.38
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.92

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