Compound Detail
CHEMBL1164667
3-BENZYLIDENEANABASEINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1164667 |
| Name | 3-BENZYLIDENEANABASEINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRYNRVPZHUUTOR-NTCAYCPXSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
3.75
ALogP
2
HBA
0
HBD
25.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.13
IC50 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor alpha8 subunit CHEMBL2366437 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.13 | 7.13 | 74.1 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 6.22 | 6.22 | 600.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 6.07 | 6.07 | 850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor alpha8 subunit | IC50 | = | 35.0 | nM | 7.46 | Displacement of [3H]epibatidine from nAChR in Periplaneta americana (American co... | - |
| Unchecked | Ki | = | 74.13 | nM | 7.13 | Displacement of radioligand from AChBp by scintillation counting | 20518527 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 600.0 | nM | 6.22 | Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat brain membran... | 20236734 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 850.0 | nM | 6.07 | Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane after ... | 20236734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20236734 | 10.1016/j.ejmech.2010.02.027 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 20236734 | 10.1016/j.ejmech.2010.02.027 | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 20518527 | 10.1021/jm100230k | Unchecked | 1 |
| - | 10.1584/jpestics.G06-11 | Nicotinic acetylcholine receptor alpha8 subunit | 1 |
Data from ChEMBL 36 via Core Engine