Compound Detail
CHEMBL445285
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Basic Information
| ChEMBL ID | CHEMBL445285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLNSVKSSCLHOSW-TWGQIWQCSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
211.2
MW (Da)
1.97
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 CHEMBL4592 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [copper-containing] 3 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of rat CAO | 18640844 |
| Amine oxidase [flavin-containing] B | IC50 | = | 10.0 | nM | 8.0 | Inhibition of MAO-B (unknown origin) | 29335210 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18640844 | 10.1016/j.bmc.2008.06.048 | Amine oxidase [copper-containing] 3 | 1 |
| 18640844 | 10.1016/j.bmc.2008.06.048 | Amine oxidase [flavin-containing] A | 1 |
| 18640844 | 10.1016/j.bmc.2008.06.048 | Unchecked | 1 |
| 29335210 | 10.1016/j.ejmech.2018.01.003 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine