Compound Detail
CHEMBL83986
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Basic Information
| ChEMBL ID | CHEMBL83986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVXVOQXKSMPCGF-NSHDSACASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
307.8
MW (Da)
3.07
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 10.75 | 10.75 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.0179 | nM | 10.75 | Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor ... | 15115389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115389 | 10.1021/jm030432v | No relevant target | 2 |
| 15115389 | 10.1021/jm030432v | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine