Compound Detail
CHEMBL98616
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Basic Information
| ChEMBL ID | CHEMBL98616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNZZEGPVJKLTLT-CABCVRRESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
356.3
MW (Da)
2.08
ALogP
5
HBA
1
HBD
92.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 8.56 | 8.56 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 2.754 | nM | 8.56 | Negative logarithm of the molar concentration required to relax rat aorta precon... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80835-0 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine