Compound Detail
CHEMBL104552
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Basic Information
| ChEMBL ID | CHEMBL104552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUIDPKKAXOAIEN-WBVHZDCISA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
1.68
ALogP
6
HBA
2
HBD
108.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
EC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Sus scrofa CHEMBL613488 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 2.0 | nM | 8.7 | Relaxing effect by measuring inhibition of noradrenaline-induced contractions in... | 1920358 |
| Oryctolagus cuniculus | EC50 | = | 3.0 | nM | 8.52 | Drug concentration required to induce half maximal hyperpolarization in rabbit m... | 1920358 |
| Sus scrofa | IC50 | = | 6.0 | nM | 8.22 | Relaxing effect determined by measuring inhibition of acetylcholine-induced cont... | 1920358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1920358 | 10.1021/jm00114a017 | Oryctolagus cuniculus | 3 |
| 1920358 | 10.1021/jm00114a017 | Sus scrofa | 1 |
Data from ChEMBL 36 via Core Engine