Compound Detail
CHEMBL4759301
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4759301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLFOTWGPADOSGG-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
4.27
ALogP
4
HBA
0
HBD
30.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.19
Ki 1 meas. best 7.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 7.61 | 7.61 | 24.7 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Ki | = | 24.74 | nM | 7.61 | Competitive inhibition of recombinant human MAO-B expressed in baculovirus infec... | 33071056 |
| Amine oxidase [flavin-containing] B | IC50 | = | 65.0 | nM | 7.19 | Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5... | 33071056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33071056 | 10.1016/j.ejmech.2020.112911 | Amine oxidase [flavin-containing] B | 3 |
| 33071056 | 10.1016/j.ejmech.2020.112911 | SH-SY5Y | 2 |
| 33071056 | 10.1016/j.ejmech.2020.112911 | Amine oxidase [flavin-containing] A | 1 |
| 33071056 | 10.1016/j.ejmech.2020.112911 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine