Compound Detail
CHEMBL4591569
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Basic Information
| ChEMBL ID | CHEMBL4591569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IULFCTGMHSDEFG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4597282 |
| Active Moiety | CHEMBL4597282 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
0.76
ALogP
6
HBA
3
HBD
109.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of pig skin LOX incubated for 45 mins by Amplex red dye based and HRP... | - |
| Lysyl oxidase homolog 2 | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of LOXL2 (unknown origin) using H2O2 substrate incubated for 20 mins ... | - |
Data from ChEMBL 36 via Core Engine