Compound Detail
CHEMBL21530
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Basic Information
| ChEMBL ID | CHEMBL21530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLRPUCPWETWQMV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1178335 |
| Active Moiety | CHEMBL1178335 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
0.36
ALogP
6
HBA
1
HBD
72.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of specific [3H](R)-QNB binding to Muscarinic acetylcholine receptor ... | 9111297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9111297 | 10.1021/jm960467d | Unchecked | 1 |
| 9111297 | 10.1021/jm960467d | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine