Compound Detail
CHEMBL289517
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Basic Information
| ChEMBL ID | CHEMBL289517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJCJIVYNZFHBOS-FIXISWKDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
2.93
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 1 (5-HT1) receptor | IC50 | = | 20.0 | nM | 7.7 | Binding affinity towards 5-hydroxytryptamine 1 receptor using [3H]5-HT as a radi... | 2456389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2456389 | 10.1021/jm00403a007 | Rattus norvegicus | 2 |
| 2456389 | 10.1021/jm00403a007 | Serotonin 1 (5-HT1) receptor | 1 |
| 2456389 | 10.1021/jm00403a007 | Serotonin 2 (5-HT2) receptor | 1 |
| 2456389 | 10.1021/jm00403a007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine