Compound Detail
CHEMBL1917529
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Basic Information
| ChEMBL ID | CHEMBL1917529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIFJSIDSHVJPGC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
247.2
MW (Da)
3.15
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 7.46 | 6.68 | 35.0 | 2 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.63 | 4.63 | 23470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 35.0 | nM | 7.46 | Inhibition of human recombinant MAOA expressed in baculovirus infected BTI-TN-5B... | 22005185 |
| Amine oxidase [flavin-containing] A | IC50 | = | 1260.0 | nM | 5.9 | Inhibition of MAO-A (unknown origin) using p-tyramine as substrate preincubated ... | 36173886 |
| Amine oxidase [flavin-containing] B | IC50 | = | 23470.0 | nM | 4.63 | Inhibition of MAO-B (unknown origin) using p-tyramine as substrate preincubated ... | 36173886 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36173886 | 10.1021/acs.jmedchem.2c01271 | Unchecked | 2 |
| 22005185 | 10.1016/j.ejmech.2011.09.045 | Amine oxidase [flavin-containing] A | 1 |
| 22005185 | 10.1016/j.ejmech.2011.09.045 | Amine oxidase [flavin-containing] B | 1 |
| 22005185 | 10.1016/j.ejmech.2011.09.045 | Unchecked | 1 |
| 36173886 | 10.1021/acs.jmedchem.2c01271 | Amine oxidase [flavin-containing] A | 1 |
| 36173886 | 10.1021/acs.jmedchem.2c01271 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine