Compound Detail
CHEMBL4595979
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Basic Information
| ChEMBL ID | CHEMBL4595979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDLUDSUYQHJMIM-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
3.74
ALogP
5
HBA
1
HBD
73.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 6.7 | 6.7 | 200.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.34 | 4.34 | 46000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysyl oxidase homolog 2 | IC50 | = | 200.0 | nM | 6.7 | LOXL2 Enzyme Activity Assay (c): LOXL2 batch is obtained from R&D systems/Bio-te... | - |
| Lysyl oxidase homolog 2 | IC50 | = | 200.0 | nM | 6.7 | LOXL2 Enzyme Activity Assay (20 hours): 10. Incubate for 20 hrs at room temp on ... | - |
| Unchecked | IC50 | = | 200.0 | nM | 6.7 | Monoamine Oxidase A (MAO-A) Selectivity Assay: MAO-Glo Assay Kit: Promega, Cat N... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 46000.0 | nM | 4.34 | Monoamine oxidase A (MAO-A) Selectivity Assay: MAO-Glo Assay Kit: Promega, Cat N... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 46000.0 | nM | 4.34 | Monoamine Oxidase A (MAO-A) Selectivity Assay: The following reagents were prepa... | - |
| Amine oxidase [flavin-containing] A | IC50 | = | 46000.0 | nM | 4.34 | Monoamine Oxidase B (MAO-B) Selectivity Assay: MAO-B Enzyme: Sigma, Cat No. M744... | - |
Data from ChEMBL 36 via Core Engine