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Compound Detail

CHEMBL321387

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O=C1c2c(O)cccc2C(CCc2ccccc2)c2cccc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL321387
Phase Preclinical
Structure Type MOL
InChI Key RQEKLJOOYBGCGU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
4.41
ALogP
3
HBA
2
HBD
57.5
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 C22H18O3
MW 330.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.67

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