Compound Detail
CHEMBL4456682
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Basic Information
| ChEMBL ID | CHEMBL4456682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STRQSWGMSWZNAP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
2.59
ALogP
5
HBA
1
HBD
73.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 6.64 | 6.4533 | 230.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 230.0 | nM | 6.64 | LOXL2 Enzyme Activity Assay (c): LOXL2 batch is obtained from R&D systems/Bio-te... | - |
| Lysyl oxidase homolog 2 | IC50 | = | 230.0 | nM | 6.64 | LOXL2 Enzyme Activity Assay (20 hours): 10. Incubate for 20 hrs at room temp on ... | - |
| Unchecked | IC50 | = | 230.0 | nM | 6.64 | Monoamine Oxidase A (MAO-A) Selectivity Assay: MAO-Glo Assay Kit: Promega, Cat N... | - |
| Lysyl oxidase homolog 2 | IC50 | = | 828.0 | nM | 6.08 | Inhibition of human C-terminal His10-tagged LOXL2 (Met1 to Gln774 residues) expr... | 31430136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31430136 | 10.1021/acs.jmedchem.9b01112 | Lysyl oxidase homolog 2 | 1 |
Data from ChEMBL 36 via Core Engine