Compound Detail
CHEMBL1830818
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Basic Information
| ChEMBL ID | CHEMBL1830818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJYUFSPLSXCNJO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
4.07
ALogP
5
HBA
0
HBD
65.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.67 | 7.67 | 21.5 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.33 | 4.33 | 46350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 21.47 | nM | 7.67 | Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5... | 21872365 |
| Amine oxidase [flavin-containing] A | IC50 | = | 46350.0 | nM | 4.33 | Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5... | 21872365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21872365 | 10.1016/j.ejmech.2011.07.017 | No relevant target | 4 |
| 21872365 | 10.1016/j.ejmech.2011.07.017 | Amine oxidase [flavin-containing] A | 1 |
| 21872365 | 10.1016/j.ejmech.2011.07.017 | Amine oxidase [flavin-containing] B | 1 |
| 21872365 | 10.1016/j.ejmech.2011.07.017 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine