Compound Detail
CHEMBL320905
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Basic Information
| ChEMBL ID | CHEMBL320905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPGYIKBGCBVLOR-MOPGFXCFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
2.61
ALogP
6
HBA
2
HBD
108.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sus scrofa CHEMBL613488 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sus scrofa | IC50 | = | 80000.0 | nM | 4.1 | Relaxing effect determined by measuring inhibition of acetylcholine-induced cont... | 1920358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1920358 | 10.1021/jm00114a017 | Sus scrofa | 1 |
| 1920358 | 10.1021/jm00114a017 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine