Compound Detail
CHEMBL2203340
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Basic Information
| ChEMBL ID | CHEMBL2203340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVKBTLMKAXGGBK-NTPIQVHXSA-M |
| Parent Compound | CHEMBL2220394 |
| Active Moiety | CHEMBL2220394 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
476.7
MW (Da)
4.35
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.7 | 4.7 | 19810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 19810.0 | nM | 4.7 | Inhibition of nAChR-mediated twitch response in mouse hemidiaphragm | 22910136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22910136 | 10.1016/j.ejmech.2012.07.048 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine