Compound Detail
CHEMBL3128035
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Basic Information
| ChEMBL ID | CHEMBL3128035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVKGEUMVNRWJTP-UMVBOHGHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
2.90
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 10.4 | 10.4 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.04 | nM | 10.4 | Displacement of [3H]-epibatidine from alpha4beta2* nAChR in Sprague-Dawley rat c... | 24428686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24428686 | 10.1021/jm401602p | Mus musculus | 6 |
| 24428686 | 10.1021/jm401602p | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 24428686 | 10.1021/jm401602p | Neuronal acetylcholine receptor; alpha3/beta4 | 2 |
| 24428686 | 10.1021/jm401602p | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 24428686 | 10.1021/jm401602p | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine