Compound Detail
CHEMBL172776
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Basic Information
| ChEMBL ID | CHEMBL172776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTWWUKLYXUDVNA-NEPJUHHUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
0.52
ALogP
5
HBA
3
HBD
127.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 320.0 | nM | 6.5 | Vasorelaxant potency required to relax methoxamine contracted male Wistar Kyoto ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80662-9 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine