Compound Detail
CHEMBL269197
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Basic Information
| ChEMBL ID | CHEMBL269197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDGKMJYQQUTBQD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
160.2
MW (Da)
1.34
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nischarin CHEMBL3923 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | Ki | 4.88 | 4.88 | 13090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nischarin | Ki | = | 7.943 | nM | 8.1 | Binding affinity for imidazoline receptor I-2 in rabbit kidney homogenate (relat... | 10737743 |
| Amine oxidase [flavin-containing] B | Ki | = | 13090.0 | nM | 4.88 | Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial hom... | 19064321 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10737743 | 10.1021/jm991124t | Nischarin | 1 |
| 19064321 | 10.1016/j.bmcl.2008.03.001 | Amine oxidase [flavin-containing] A | 1 |
| 19064321 | 10.1016/j.bmcl.2008.03.001 | Amine oxidase [flavin-containing] B | 1 |
| 19064321 | 10.1016/j.bmcl.2008.03.001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine