Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL123486

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2cc(OCc3ccccc3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL123486
Phase Preclinical
Structure Type MOL
InChI Key MNPGQDBQHGXNFX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
5.36
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27NO4
MW 453.54
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.58

Activity Summary

IC50 2 meas. best 8.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leukotriene B4 receptor
CHEMBL2095160
 IC50 8.97 8.54 1.1 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leukotriene B4 receptor IC50 = 1.07 nM 8.97 LTB4 receptor binding from radioligand binding assay using guinea pig spleen cel... 8809164
Leukotriene B4 receptor IC50 = 7.75 nM 8.11 LTB4 receptor binding from radioligand binding assay using human intact neutroph... 8809164

Literature References

PubMed DOI Target Context # Activities
8809164 10.1021/jm950699x Leukotriene B4 receptor 2

Data from ChEMBL 36 via Core Engine