Compound Detail
CHEMBL664
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Basic Information
| ChEMBL ID | CHEMBL664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIKROCXWUNQSPJ-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
1
Known Names
Molecular Properties
176.2
MW (Da)
1.37
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Kd 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | Kd | 6.21 | 6.21 | 620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Kd | = | 620.0 | nM | 6.21 | Compound was evaluated for ability to enhance the binding of (+/-)-[3H]nicotine ... | 4032427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4032427 | 10.1021/jm00147a021 | Neuronal acetylcholine receptor | 2 |
| 19110342 | 10.1016/j.ejmech.2008.11.010 | Cytochrome P450 2A5 | 1 |
| 19110342 | 10.1016/j.ejmech.2008.11.010 | Cytochrome P450 2A6 | 1 |
Data from ChEMBL 36 via Core Engine