Compound Detail
CHEMBL3781258
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Basic Information
| ChEMBL ID | CHEMBL3781258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTBIRNHZSSTSFR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
4.39
ALogP
4
HBA
1
HBD
62.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 5.37 | 5.37 | 4250.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | Ki | 4.39 | 4.39 | 41050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 4250.0 | nM | 5.37 | Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as ... | 26819666 |
| Amine oxidase [flavin-containing] B | Ki | = | 41050.0 | nM | 4.39 | Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as ... | 26819666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26819666 | 10.1021/acsmedchemlett.5b00326 | Amine oxidase [flavin-containing] A | 3 |
| 26819666 | 10.1021/acsmedchemlett.5b00326 | Amine oxidase [flavin-containing] B | 1 |
| 26819666 | 10.1021/acsmedchemlett.5b00326 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine