Compound Detail
CHEMBL417480
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Basic Information
| ChEMBL ID | CHEMBL417480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPJJWNRFLZHFRQ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
234.4
MW (Da)
2.99
ALogP
2
HBA
1
HBD
19.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.12
Kd 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 5.92 | 5.92 | 1202.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.12 | 5.12 | 7590.0 | 1 |
| Serotonin (5-HT) receptor CHEMBL2096904 | IC50 | 4.39 | 4.39 | 40800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 1202.26 | nM | 5.92 | The ability to inhibit the 5-HT-induced contraction of isolated rat fundus muscl... | 6815326 |
| Unchecked | IC50 | = | 7590.0 | nM | 5.12 | Ability to displace [3H]LSD binding to Lysergic acid diethylamide receptor site ... | 7120280 |
| Serotonin (5-HT) receptor | IC50 | = | 40800.0 | nM | 4.39 | Ability to displace [3H]5-HT binding to 5-hydroxytryptamine receptor site using ... | 7120280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7120280 | 10.1021/jm00350a005 | Rattus norvegicus | 12 |
| 7120280 | 10.1021/jm00350a005 | Unchecked | 4 |
| 6815326 | 10.1021/jm00353a021 | Rattus norvegicus | 1 |
| 7120280 | 10.1021/jm00350a005 | Serotonin (5-HT) receptor | 1 |
Data from ChEMBL 36 via Core Engine