Compound Detail
CHEMBL267526
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Basic Information
| ChEMBL ID | CHEMBL267526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRANUECGGQVXOT-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
213.2
MW (Da)
1.73
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.96
Kd 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin (5-HT) receptor CHEMBL2094123 | Kd | 7.2 | 7.2 | 63.1 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 5.96 | 5.96 | 1100.0 | 2 |
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | Ki | 5.47 | 5.47 | 3370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin (5-HT) receptor | Kd | = | 63.1 | nM | 7.2 | Binding affinity at rat 5-hydroxytryptamine receptor. | 7143352 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 1110.0 | nM | 5.96 | Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) rece... | 3543362 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 1100.0 | nM | 5.96 | Binding affinity against 5-hydroxytryptamine 2 receptor of rat frontal cortex us... | 2308135 |
| Serotonin 1 (5-HT1) receptor | Ki | = | 3370.0 | nM | 5.47 | 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 | 13 |
| 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 |
| 2308135 | 10.1021/jm00165a023 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine