Compound Detail
CHEMBL98451
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Basic Information
| ChEMBL ID | CHEMBL98451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXCADBXNZQXTCG-ZROIWOOFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.7
MW (Da)
2.68
ALogP
6
HBA
0
HBD
122.1
PSA (Ų)
0.22
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 3.9 | nM | 8.41 | Potency to displace [3H]IMI binding to Nicotinic acetylcholine receptor from Dro... | 12061885 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 170.0 | nM | 6.77 | Potency to displace [3H]nicotine binding to Nicotinic acetylcholine receptor alp... | 12061885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12061885 | 10.1021/jm010508s | Unchecked | 2 |
| 12061885 | 10.1021/jm010508s | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine