Compound Detail
CHEMBL66241
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Basic Information
| ChEMBL ID | CHEMBL66241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRQKPYBPFDFAAT-NXEZZACHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
2.05
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.01 | 6.01 | 967.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 967.0 | nM | 6.01 | Affinity at [3H]ketanserin-labeled 5-hydroxytryptamine 2A receptor in rat brain ... | 9622555 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 38000.0 | nM | 4.42 | Affinity at [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor in rat brain h... | 9622555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9622555 | 10.1021/jm980076u | 5-hydroxytryptamine receptor 2A | 1 |
| 9622555 | 10.1021/jm980076u | 5-hydroxytryptamine receptor 1A | 1 |
| 9622555 | 10.1021/jm980076u | Muscarinic acetylcholine receptor M1 | 1 |
| 9622555 | 10.1021/jm980076u | Muscarinic acetylcholine receptor M2 | 1 |
| 9622555 | 10.1021/jm980076u | Muscarinic acetylcholine receptor M3 | 1 |
| 9622555 | 10.1021/jm980076u | Muscarinic acetylcholine receptor M4 | 1 |
| 9622555 | 10.1021/jm980076u | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine