Compound Detail
CHEMBL5170103
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Basic Information
| ChEMBL ID | CHEMBL5170103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGBVYCVSWPQDFL-ACCUITESSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
3.60
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
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 |
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 MAO-B using kynuramine as substrate incubated for 20 mins by... | 32920430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35932905 | 10.1016/j.bmcl.2022.128921 | RAW264.7 | 1 |
| 34743062 | 10.1016/j.ejmech.2021.113964 | Adrenergic receptor alpha-1 | 1 |
| 34743062 | 10.1016/j.ejmech.2021.113964 | Alpha-2A adrenergic receptor | 1 |
| 32920430 | 10.1016/j.ejmech.2020.112650 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine