Compound Detail
CHEMBL5195779
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Basic Information
| ChEMBL ID | CHEMBL5195779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHVDUIWWLVQCDN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
5.61
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.94 | 6.94 | 115.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 18.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 115.0 | nM | 6.94 | Inhibition of human recombinant MAO-B using p-tyramine as substrate preincubated... | 35397400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35397400 | 10.1016/j.ejmech.2022.114329 | Amine oxidase [flavin-containing] B | 1 |
| 35397400 | 10.1016/j.ejmech.2022.114329 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine