Compound Detail
CHEMBL1744163
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Basic Information
| ChEMBL ID | CHEMBL1744163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBRIOQAKOMGUOD-BTJKTKAUSA-N |
| Parent Compound | CHEMBL143991 |
| Active Moiety | CHEMBL143991 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.30
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 180.0 | nM | 6.75 | Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanse... | 1479590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1479590 | 10.1021/jm00104a017 | Serotonin 2 (5-HT2) receptor | 2 |
| 1479590 | 10.1021/jm00104a017 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine