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Compound Detail

CHEMBL321185

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O=C1c2c(O)cccc2C(Cc2ccccc2)c2cccc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL321185
Phase Preclinical
Structure Type MOL
InChI Key VYKRRJBOIVZQKO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
4.02
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16O3
MW 316.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.70

Literature References

PubMed DOI Target Context # Activities
11262091 10.1021/jm001073w ADMET 3
9371243 10.1021/jm970292n Molecular identity unknown 2
9371243 10.1021/jm970292n HaCaT 2
9873705 10.1016/s0960-894x(98)00580-0 ADMET 2
9371243 10.1021/jm970292n No relevant target 1
9371243 10.1021/jm970292n Arachidonate 5-lipoxygenase 1
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