Compound Detail
CHEMBL2094027
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Basic Information
| ChEMBL ID | CHEMBL2094027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILZULPIKBDNQEZ-OZZZDHQUSA-N |
| Parent Compound | CHEMBL455782 |
| Active Moiety | CHEMBL455782 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
151.2
MW (Da)
1.58
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 3.6 | nM | 8.44 | Compound was evaluated for inhibition of Microbial tyramine oxidase; competitive | 15027872 |
| Unchecked | IC50 | = | 3600.0 | nM | 5.44 | Inhibitory concentration against tyramine oxidase of Arthrobacter spp.; Competit... | 15537343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15027872 | 10.1021/jm030398k | Amine oxidase [flavin-containing] B | 1 |
| 15537343 | 10.1021/jm049957t | No relevant target | 1 |
| 15537343 | 10.1021/jm049957t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine