Compound Detail
CHEMBL188554
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Basic Information
| ChEMBL ID | CHEMBL188554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNTOKFNBDFMTIV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
105.1
MW (Da)
0.60
ALogP
3
HBA
0
HBD
52.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL326 | EC50 | 4.39 | 4.39 | 41000.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 41000.0 | nM | 4.39 | Vasodilating activity in rat aorta strip in absence of 1H-[1,2,4]oxadiazolo[4,3-... | 15546710 |
| Alpha-1D adrenergic receptor | EC50 | = | 41000.0 | nM | 4.39 | Vasodilator activity assessed as ability to relax phenylephrine-induced contract... | 16686532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15546710 | 10.1016/j.bmcl.2004.10.006 | Rattus norvegicus | 3 |
| 16686532 | 10.1021/jm0510530 | Alpha-1D adrenergic receptor | 2 |
| 16686532 | 10.1021/jm0510530 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine