Compound Detail
CHEMBL1830137
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Basic Information
| ChEMBL ID | CHEMBL1830137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWCRFMFRXLAXLY-JXMROGBWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
3.73
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.48 | 4.48 | 33200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 33200.0 | nM | 4.48 | Inhibition of human recombinant MAO-B assessed as oxidation of kynuramine to 4-h... | 21899930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21899930 | 10.1016/j.ejmech.2011.08.036 | Amine oxidase [flavin-containing] A | 1 |
| 21899930 | 10.1016/j.ejmech.2011.08.036 | Amine oxidase [flavin-containing] B | 1 |
| 21899930 | 10.1016/j.ejmech.2011.08.036 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine