Compound Detail
CHEMBL120717
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Basic Information
| ChEMBL ID | CHEMBL120717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNFAZZZMOIMFAE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.40
ALogP
3
HBA
1
HBD
52.9
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoamine oxidase CHEMBL2111399 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
| Diamine oxidase [copper-containing] CHEMBL2118 | Ki | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoamine oxidase | Ki | = | 5500.0 | nM | 5.26 | Inhibitory activity against Monoamine oxidase from Bovine brain mitochondria | 12443791 |
| Unchecked | Ki | = | 5500.0 | nM | 5.26 | Inhibitory activity against Serum amine oxidase | 12443791 |
| Diamine oxidase [copper-containing] | Ki | = | 8000.0 | nM | 5.1 | Inhibitory activity against Swine kidney diamine oxidase (SKDAO) | 12443791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12443791 | 10.1016/s0960-894x(02)00699-6 | Monoamine oxidase | 1 |
| 12443791 | 10.1016/s0960-894x(02)00699-6 | Diamine oxidase [copper-containing] | 1 |
| 12443791 | 10.1016/s0960-894x(02)00699-6 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine