Compound Detail
CHEMBL4442739
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4442739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BASIIKGMMIOSLS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4597412 |
| Active Moiety | CHEMBL4597412 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
0.84
ALogP
7
HBA
1
HBD
107.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 5.89 | 5.855 | 1300.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of LOXL2 (unknown origin) using H2O2 substrate incubated for 20 hrs b... | - |
| Lysyl oxidase homolog 2 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of LOXL2 (unknown origin) using H2O2 substrate incubated for 20 mins ... | - |
| Unchecked | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of pig skin LOX incubated for 45 mins by Amplex red dye based and HRP... | - |
Data from ChEMBL 36 via Core Engine