Compound Detail
CHEMBL1235738
AZILECT Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1235738 |
| Name | AZILECT |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUOKEQAAGRXIBM-LBPRGKRZSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
171.2
MW (Da)
1.90
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.85
Ki 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.75 | 4.75 | 17700.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 14.0 | nM | 7.85 | Inhibitory concentration towards in human monoamine oxidase B was measured | 15027867 |
| Amine oxidase [flavin-containing] B | IC50 | = | 17000.0 | nM | 4.77 | In vitro inhibitory concentration against Monoamine oxidase B of rat brain homog... | 12431053 |
| Amine oxidase [flavin-containing] A | IC50 | = | 17700.0 | nM | 4.75 | Inhibitory concentration towards in human monoamine oxidase A was measured | 15027867 |
| Amine oxidase [flavin-containing] A | IC50 | = | 22000.0 | nM | 4.66 | In vitro inhibitory concentration against Monoamine oxidase A of rat brain homog... | 12431053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15027867 | 10.1021/jm0310885 | Amine oxidase [flavin-containing] A | 7 |
| 15027867 | 10.1021/jm0310885 | Amine oxidase [flavin-containing] B | 7 |
| 15027867 | 10.1021/jm0310885 | Unchecked | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 12431053 | 10.1021/jm020120c | Amine oxidase [flavin-containing] A | 1 |
| 12431053 | 10.1021/jm020120c | Amine oxidase [flavin-containing] B | 1 |
| 12431053 | 10.1021/jm020120c | Monoamine oxidase | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine