Compound Detail
CHEMBL44370
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Basic Information
| ChEMBL ID | CHEMBL44370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMGAWTRCHBSKLS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.2
MW (Da)
3.96
ALogP
2
HBA
1
HBD
21.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 8.03 | 7.96 | 9.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 9.333 | nM | 8.03 | Negative logarithm of the molar concentration required to relax rat aorta precon... | - |
| Rattus norvegicus | EC50 | = | 9.333 | nM | 8.03 | Molar concentration required to relax rat aorta precontracted with 30 mM KCL by ... | - |
| Rattus norvegicus | EC50 | = | 15.14 | nM | 7.82 | Molar concentration required to relax rat aorta precontracted with 30 mM KCL by ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80037-2 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(01)80837-4 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine