Compound Detail
CHEMBL13613
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Basic Information
| ChEMBL ID | CHEMBL13613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGOMGNDHFSTZQO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
2.21
ALogP
4
HBA
1
HBD
81.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 6.47 | 6.47 | 338.8 | 2 |
| Cavia porcellus CHEMBL369 | EC50 | 6.19 | 6.19 | 645.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 338.84 | nM | 6.47 | Negative logarithm of the molar concentration of compound required to relax rat ... | - |
| Rattus norvegicus | EC50 | = | 338.84 | nM | 6.47 | Tested for relaxation of rat aorta smooth muscle precontracted with 30 mM KCI by... | - |
| Cavia porcellus | EC50 | = | 645.65 | nM | 6.19 | Tested for the ability to inhibit spontaneous tone in guinea pig trachealis by 5... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81242-7 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(00)80297-8 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(00)80297-8 | Cavia porcellus | 2 |
Data from ChEMBL 36 via Core Engine