Compound Detail
CHEMBL2093955
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Basic Information
| ChEMBL ID | CHEMBL2093955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVWUXRYDTWMIMQ-RJUBDTSPSA-N |
| Parent Compound | CHEMBL446771 |
| Active Moiety | CHEMBL446771 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
169.2
MW (Da)
1.72
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8100.0 | nM | 5.09 | Inhibitory concentration against tyramine oxidase of Arthrobacter spp.; Competit... | 15537343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15537343 | 10.1021/jm049957t | No relevant target | 1 |
| 15537343 | 10.1021/jm049957t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine