Compound Detail
CHEMBL4456390
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Basic Information
| ChEMBL ID | CHEMBL4456390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSJCFXZRFFIJTM-ZWGOZCLVSA-N |
| Parent Compound | CHEMBL4526964 |
| Active Moiety | CHEMBL4526964 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
1.82
ALogP
6
HBA
1
HBD
97.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 6.4 | 5.85 | 400.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of LOXL2 (unknown origin) using H2O2 substrate incubated for 20 hrs b... | - |
| Unchecked | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of pig skin LOX incubated for 45 mins by Amplex red dye based and HRP... | - |
| Lysyl oxidase homolog 2 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of LOXL2 (unknown origin) using H2O2 substrate incubated for 20 mins ... | - |
Data from ChEMBL 36 via Core Engine