Compound Detail
CHEMBL2252313
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Basic Information
| ChEMBL ID | CHEMBL2252313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKVCBURYVNLQRB-FNORWQNLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
260.7
MW (Da)
1.28
ALogP
6
HBA
1
HBD
71.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor alpha8 subunit CHEMBL2366437 | EC50 | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor alpha8 subunit | EC50 | = | 15.85 | nM | 7.8 | Agonist activity at Periplaneta americana (American cockroach) nAChR in terminal... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.31.35 | Nicotinic acetylcholine receptor alpha8 subunit | 2 |
| 17263479 | 10.1021/jf0623440 | No relevant target | 1 |
| 17263479 | 10.1021/jf0623440 | Periplaneta americana | 1 |
| 17263479 | 10.1021/jf0623440 | Nicotinic acetylcholine receptor alpha8 subunit | 1 |
| 20879794 | 10.1021/jf102525e | No relevant target | 1 |
| 20879794 | 10.1021/jf102525e | Periplaneta americana | 1 |
| 20879794 | 10.1021/jf102525e | Nicotinic acetylcholine receptor alpha8 subunit | 1 |
| 27316887 | 10.1271/bbb.57.127 | Nephotettix cincticeps | 1 |
| - | 10.1584/jpestics.31.35 | Periplaneta americana | 1 |
| - | 10.1584/jpestics.31.35 | No relevant target | 1 |
| - | 10.1584/jpestics.R07-05 | No relevant target | 1 |
| - | 10.1584/jpestics.R07-05 | Periplaneta americana | 1 |
Data from ChEMBL 36 via Core Engine