Compound Detail
CHEMBL3219617
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Basic Information
| ChEMBL ID | CHEMBL3219617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSGRSRYPHUABSU-GXDHUFHOSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
182.2
MW (Da)
2.83
ALogP
2
HBA
0
HBD
25.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Ki 2 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 37000.0 | nM | 4.43 | Binding affinity to human recombinant MAOA | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00176K | Amine oxidase [flavin-containing] B | 2 |
| - | 10.1039/C1MD00176K | Amine oxidase [flavin-containing] A | 2 |
| - | 10.1039/C1MD00176K | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine