Compound Detail
CHEMBL18334
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Basic Information
| ChEMBL ID | CHEMBL18334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWCYHUWSHCXNRR-MRVPVSSYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
196.2
MW (Da)
0.59
ALogP
4
HBA
0
HBD
43.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 8.31 | 8.31 | 4.9 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3254 | Ki | 8.31 | 8.31 | 4.9 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2756 | Ki | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 4.9 | nM | 8.31 | Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to... | 11881986 |
| Amine oxidase [flavin-containing] A | Ki | = | 4.9 | nM | 8.31 | Inhibition of recombinant human MAO-A using kynuramine as substrate incubated fo... | 29335210 |
| Amine oxidase [flavin-containing] B | Ki | = | 50000.0 | nM | 4.3 | Inhibition of bovine brain mitochondrial Monoamine oxidase B (MAO-B) compared to... | 11881986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11881986 | 10.1021/jm015578d | Amine oxidase [flavin-containing] A | 1 |
| 11881986 | 10.1021/jm015578d | Amine oxidase [flavin-containing] B | 1 |
| 11881986 | 10.1021/jm015578d | Monoamine oxidase | 1 |
| 29335210 | 10.1016/j.ejmech.2018.01.003 | Amine oxidase [flavin-containing] A | 1 |
Data from ChEMBL 36 via Core Engine