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Compound Detail

CHEMBL81503

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CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(CCC(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL81503
Phase Preclinical
Structure Type MOL
InChI Key PXNXHWFVZCNLQM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
4.99
ALogP
5
HBA
3
HBD
104.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N2O5
MW 438.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.34

Activity Summary

IC50 1 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leukotriene B4 receptor 1
CHEMBL3911
 IC50 7.55 7.55 28.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leukotriene B4 receptor 1 IC50 = 28.0 nM 7.55 Inhibition of [3H]Leukotriene B4 binding to human PMN 8057289

Literature References

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

Data from ChEMBL 36 via Core Engine