Compound Detail
CHEMBL56898
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Basic Information
| ChEMBL ID | CHEMBL56898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTVVAXXCLZJWPT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
175.2
MW (Da)
0.81
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 5.52 | 5.015 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 3000.0 | nM | 5.52 | Concentration that produces 50% of the maximal response to compound without phen... | 8021927 |
| Rattus norvegicus | EC50 | = | 31000.0 | nM | 4.51 | Concentration that produces 50% of the maximal response to compound with phenoxy... | 8021927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8021927 | 10.1021/jm00038a017 | Rattus norvegicus | 4 |
| 9632357 | 10.1021/jm970513p | 5-hydroxytryptamine receptor 1B | 1 |
| 9632357 | 10.1021/jm970513p | 5-hydroxytryptamine receptor 1D | 1 |
| 9632357 | 10.1021/jm970513p | Serotonin 1 receptors; 5-HT1B & 5-HT1D | 1 |
Data from ChEMBL 36 via Core Engine