Compound Detail
CHEMBL4458662
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Basic Information
| ChEMBL ID | CHEMBL4458662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUAKDVLZFXOGTQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4596022 |
| Active Moiety | CHEMBL4596022 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
1.20
ALogP
7
HBA
2
HBD
114.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.36 | 6.36 | 440.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 440.0 | nM | 6.36 | Inhibition of pig skin LOX using cadaverine hydrochloride as substrate preincuba... | 31070916 |
| Unchecked | IC50 | = | 440.0 | nM | 6.36 | Inhibition of pig skin LOX incubated for 45 mins by Amplex red dye based and HRP... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31070916 | 10.1021/acs.jmedchem.9b00335 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine