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Compound Detail

CHEMBL310001

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O=C(O)CCc1cccc(OCCCOc2ccc(-c3cc[nH]n3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL310001
Phase Preclinical
Structure Type MOL
InChI Key QBBQBGHXTVWLAZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
3.94
ALogP
4
HBA
2
HBD
84.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N2O4
MW 366.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
8057289 10.1021/jm00041a021 Leukotriene B4 receptor 1 1

Data from ChEMBL 36 via Core Engine