Compound Detail
CHEMBL4779904
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Basic Information
| ChEMBL ID | CHEMBL4779904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXIRTMUDNXUEDJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
309.8
MW (Da)
4.21
ALogP
4
HBA
0
HBD
39.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 6.88 | 6.88 | 132.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 132.0 | nM | 6.88 | 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 | 2 |
| 33071056 | 10.1016/j.ejmech.2020.112911 | Amine oxidase [flavin-containing] A | 1 |
| 33071056 | 10.1016/j.ejmech.2020.112911 | Unchecked | 1 |
| 33071056 | 10.1016/j.ejmech.2020.112911 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine