Compound Detail
CHEMBL13862
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Basic Information
| ChEMBL ID | CHEMBL13862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPPSPXOWNGOEGL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
147.2
MW (Da)
0.43
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nischarin CHEMBL3923 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | Ki | 4.6 | 4.6 | 25280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nischarin | Ki | = | 630.96 | nM | 6.2 | Binding affinity for imidazoline receptor I-2 in rabbit kidney homogenate (relat... | 10737743 |
| Amine oxidase [flavin-containing] B | Ki | = | 25280.0 | nM | 4.6 | Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial hom... | 19064321 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Unchecked | 3 |
| - | 10.6019/CHEMBL4513160 | Pseudomonas aeruginosa | 2 |
| 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 |
| - | 10.6019/CHEMBL4513160 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine