Compound Detail
CHEMBL4596464
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Basic Information
| ChEMBL ID | CHEMBL4596464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCLJTQVYKROXIX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
2.80
ALogP
6
HBA
2
HBD
110.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 6.62 | 6.62 | 240.0 | 2 |
| Protein-lysine 6-oxidase CHEMBL2249 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 240.0 | nM | 6.62 | LOXL2 Enzyme Activity Assay (b): LOXL2 batch is obtained from R&D systems/Bio-te... | - |
| Lysyl oxidase homolog 2 | IC50 | = | 240.0 | nM | 6.62 | LOXL2 Enzyme Activity Assay (i hour): 10. Incubate for 1 hr at room temp on a pl... | - |
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | LOX Activity in Cysts Assay: To produce MDCK cysts, cells were cultured on Matri... | - |
| Protein-lysine 6-oxidase | IC50 | = | 700.0 | nM | 6.16 | LOX Activity in Cysts Assay: Cell Culture and TransfectionAll cell lines used in... | - |
Data from ChEMBL 36 via Core Engine