Compound Detail
CHEMBL2096866
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Basic Information
| ChEMBL ID | CHEMBL2096866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJPMHQYGBHVAIX-MRXNPFEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.9
MW (Da)
4.04
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2756 | Ki | 8.57 | 8.57 | 2.7 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL3254 | Ki | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Ki | = | 2.7 | nM | 8.57 | Inhibition of bovine brain mitochondria MAOB | 16279769 |
| Amine oxidase [flavin-containing] A | Ki | = | 13.0 | nM | 7.89 | Inhibition of bovine brain mitochondria MAOA | 16279769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279769 | 10.1021/jm040903t | Unchecked | 2 |
| 16279769 | 10.1021/jm040903t | Amine oxidase [flavin-containing] A | 1 |
| 16279769 | 10.1021/jm040903t | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine