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Compound Detail

CHEMBL5780202

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CC(=O)N1C[C@@H]2CC[C@H]1CN2Cc1ccc([C@H]2COc3cccnc3O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5780202
Phase Preclinical
Structure Type MOL
InChI Key DMNPPAKBNLHVTJ-IRFCIJBXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
2.79
ALogP
5
HBA
0
HBD
54.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N3O3
MW 379.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.42

Activity Summary

IC50 1 meas. best 10.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leukotriene A-4 hydrolase
CHEMBL4618
 IC50 10.05 10.05 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leukotriene A-4 hydrolase IC50 = 0.09 nM 10.05 Enzyme Assay: The compounds of the invention are assessed for the ability to int... -

Data from ChEMBL 36 via Core Engine