Compound Detail
CHEMBL347228
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Basic Information
| ChEMBL ID | CHEMBL347228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJTVXBWTYZCUJX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
181.2
MW (Da)
1.20
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 10000.0 | nM | 5.0 | Compound concentration that causes inhibition of [3H]-acetyl choline release by ... | 6143827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 564406 | 10.1021/jm00201a002 | Rattus norvegicus | 7 |
| 564406 | 10.1021/jm00201a002 | Felis catus | 5 |
| 564406 | 10.1021/jm00201a002 | Canis familiaris | 4 |
| 564406 | 10.1021/jm00201a002 | Columba livia | 2 |
| 6143827 | 10.1021/jm00371a021 | Mus musculus | 1 |
| 564406 | 10.1021/jm00201a002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine