Compound Detail
CHEMBL4474125
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Basic Information
| ChEMBL ID | CHEMBL4474125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZXPROXAHWNMJU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4598164 |
| Active Moiety | CHEMBL4598164 |
2
Targets
3
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
1.84
ALogP
8
HBA
1
HBD
112.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.15 | 6.115 | 710.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1152.28 | ng.hr.mL-1 | Mus musculus |
| Cmax | 9600.0 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 380.0 | nM | 6.42 | Inhibition of LOXL2 (unknown origin) using H2O2 substrate incubated for 20 hrs b... | - |
| Unchecked | IC50 | = | 710.0 | nM | 6.15 | Inhibition of pig skin LOX using cadaverine hydrochloride as substrate preincuba... | 31070916 |
| Unchecked | IC50 | = | 830.0 | nM | 6.08 | 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 | ADMET | 3 |
| 31070916 | 10.1021/acs.jmedchem.9b00335 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine