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Compound Detail

CHEMBL6060058

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NC(=O)NC1CCN(Cc2ccc([C@H]3COc4cccnc4O3)cc2)CC1

Basic Information

ChEMBL ID CHEMBL6060058
Phase Preclinical
Structure Type MOL
InChI Key GTYORYUULGGWOE-GOSISDBHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
2.23
ALogP
5
HBA
2
HBD
89.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N4O3
MW 368.44
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 10.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leukotriene A-4 hydrolase
CHEMBL4618
IC50 10.15 10.15 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leukotriene A-4 hydrolase IC50 = 0.07 nM 10.15 Enzyme Assay: The compounds of the invention are assessed for the ability to int... -

Data from ChEMBL 36 via Core Engine