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

CHEMBL481690

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
c1ccc2[nH]c(Oc3ccc(OCCCN4CCCCC4)cc3)nc2c1

Basic Information

ChEMBL ID CHEMBL481690
Phase Preclinical
Structure Type MOL
InChI Key ODJODTWJYGPSFX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
4.61
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N3O2
MW 351.45
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.08

Activity Summary

IC50 1 meas. best 6.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leukotriene A-4 hydrolase
CHEMBL4618
IC50 6.15 6.15 710.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leukotriene A-4 hydrolase IC50 = 710.0 nM 6.15 Inhibition of human recombinant leukotriene A4 hydrolase by enzyme immunoassay 18588282

Literature References

PubMed DOI Target Context # Activities
18588282 10.1021/jm701575k Unchecked 10
18588282 10.1021/jm701575k Leukotriene A-4 hydrolase 1
18588282 10.1021/jm701575k Phospholipase A2 1
18588282 10.1021/jm701575k Prostaglandin G/H synthase 1 1
18588282 10.1021/jm701575k Prostaglandin G/H synthase 2 1
18588282 10.1021/jm701575k Nitric oxide synthase, inducible 1
18588282 10.1021/jm701575k Angiotensin-converting enzyme 1
18588282 10.1021/jm701575k Cathepsin B 1
18588282 10.1021/jm701575k Cathepsin G 1
18588282 10.1021/jm701575k Protease 1
18588282 10.1021/jm701575k Atrial natriuretic peptide receptor 1 1
18588282 10.1021/jm701575k Epidermal growth factor receptor 1
18588282 10.1021/jm701575k Amine oxidase [flavin-containing] A 1
18588282 10.1021/jm701575k Amine oxidase [flavin-containing] B 1
18588282 10.1021/jm701575k Tyrosine 3-monooxygenase 1
18588282 10.1021/jm701575k Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine