Compound Detail
CHEMBL1788248
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Basic Information
| ChEMBL ID | CHEMBL1788248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWYGVDBZCSCJGT-SNVBAGLBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
2.16
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.58 | 6.58 | 260.0 | 1 |
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | Ki | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 260.0 | nM | 6.58 | Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) rece... | 3543362 |
| Serotonin 1 (5-HT1) receptor | Ki | = | 4300.0 | nM | 5.37 | Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytrypta... | 3543362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3543362 | 10.1021/jm00384a001 | Serotonin 1 (5-HT1) receptor | 1 |
| 3543362 | 10.1021/jm00384a001 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine