Compound Detail
CHEMBL18101
(R/R)BEFLOXATONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL18101 |
| Name | (R/R)BEFLOXATONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IALVDLPLCLFBCF-STQMWFEESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.3
MW (Da)
2.35
ALogP
5
HBA
1
HBD
68.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3254 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2756 | Ki | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 2.5 | nM | 8.6 | Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to... | 11881986 |
| Amine oxidase [flavin-containing] B | Ki | = | 220.0 | nM | 6.66 | 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 |
Data from ChEMBL 36 via Core Engine