Compound Detail
CHEMBL6003396
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Basic Information
| ChEMBL ID | CHEMBL6003396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDTDIHUMTXWBEH-HTLJXXAVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
0.34
ALogP
5
HBA
1
HBD
60.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 8.14 | 8.14 | 7.3 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | Ki | 5.57 | 5.57 | 2672.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 4.11 | 4.11 | 77500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 7.29 | nM | 8.14 | Binding to Nicotinic Receptor Subtypes: The binding of a group of compounds ment... | - |
| Neuronal acetylcholine receptor; alpha3/beta4 | Ki | = | 2672.0 | nM | 5.57 | Binding to Nicotinic Receptor Subtypes: The binding of a group of compounds ment... | - |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 77500.0 | nM | 4.11 | Binding to Nicotinic Receptor Subtypes: The binding of a group of compounds ment... | - |
Data from ChEMBL 36 via Core Engine