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Compound Detail

CHEMBL5809166

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c1cnc2c(c1)OC[C@H](c1ccc(CN3CCCCCC3)cc1)O2

Basic Information

ChEMBL ID CHEMBL5809166
Phase Preclinical
Structure Type MOL
InChI Key MAWZVJNXBXYNMW-LJQANCHMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
3.97
ALogP
4
HBA
0
HBD
34.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N2O2
MW 324.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leukotriene A-4 hydrolase
CHEMBL4618
IC50 10.0 10.0 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leukotriene A-4 hydrolase IC50 = 0.1 nM 10.0 Enzyme Assay: The compounds of the invention are assessed for the ability to int... -

Data from ChEMBL 36 via Core Engine