Compound Detail
CHEMBL46601
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Basic Information
| ChEMBL ID | CHEMBL46601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWMLCAPPGQQUFK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
3.81
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | Ki | 5.0 | 5.0 | 10000.0 | 2 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | Ki | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 10000.0 | nM | 5.0 | Inhibitory activity against Monoamine oxidase A | 10794685 |
| Amine oxidase [flavin-containing] A | Ki | = | 10000.0 | nM | 5.0 | Inhibitory activity against Monoamine oxidase A | 10794685 |
| Amine oxidase [flavin-containing] B | Ki | = | 60000.0 | nM | 4.22 | Inhibitory activity against Monoamine oxidase B | 10794685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10794685 | 10.1021/jm991164x | Amine oxidase [flavin-containing] A | 2 |
| 10794685 | 10.1021/jm991164x | Amine oxidase [flavin-containing] B | 2 |
Data from ChEMBL 36 via Core Engine