Compound Detail
CHEMBL1788278
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Basic Information
| ChEMBL ID | CHEMBL1788278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQJRESSXOVAECC-SSDOTTSWSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
1.50
ALogP
5
HBA
1
HBD
87.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.68
Kd 1 meas. best 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin (5-HT) receptor CHEMBL2094123 | Kd | 7.49 | 7.49 | 32.4 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | Ki | 4.88 | 4.88 | 13200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin (5-HT) receptor | Kd | = | 32.36 | nM | 7.49 | Binding affinity at rat 5-hydroxytryptamine receptor. | 7143352 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 210.0 | nM | 6.68 | Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) rece... | 3543362 |
| Serotonin 1 (5-HT1) receptor | Ki | = | 13200.0 | nM | 4.88 | Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytrypta... | 3543362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7143352 | 10.1021/jm00352a013 | Rattus norvegicus | 7 |
| 7143352 | 10.1021/jm00352a013 | Serotonin (5-HT) receptor | 1 |
| 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