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Compound Detail

CHEMBL311406

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OCCc1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL311406
Phase Preclinical
Structure Type MOL
InChI Key NBLXRWRUNDGPDS-MAUKXSAKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
2.51
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20O3
MW 284.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.29

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00414-9 Leukotriene B4 receptor 2

Data from ChEMBL 36 via Core Engine