Compound Detail
CHEMBL94982
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Basic Information
| ChEMBL ID | CHEMBL94982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKJQSBXFDIUPBW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
2.28
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 8.51 | 8.51 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 3.1 | nM | 8.51 | Compound was evaluated for its ability to displace 0.25 nM [125I](R)-DOI from bi... | 1992127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992127 | 10.1021/jm00105a043 | Rattus norvegicus | 5 |
| 1992127 | 10.1021/jm00105a043 | Serotonin 2 (5-HT2) receptor | 1 |
| 1992127 | 10.1021/jm00105a043 | ADMET | 1 |
| 8709129 | 10.1021/jm960199j | Rattus norvegicus | 1 |
| 8709129 | 10.1021/jm960199j | 5-hydroxytryptamine receptor 2A | 1 |
| 8709129 | 10.1021/jm960199j | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine