Compound Detail
CHEMBL92871
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Basic Information
| ChEMBL ID | CHEMBL92871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZZLBNJRGZEWMQ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
0.91
ALogP
5
HBA
1
HBD
64.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.05
Kd 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 7.05 | 7.05 | 90.0 | 1 |
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | Ki | 6.46 | 6.46 | 345.0 | 1 |
| Cavia porcellus CHEMBL369 | Kd | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 90.0 | nM | 7.05 | Displacement of binding of [3H]-BRL 43694 to 5-hydroxytryptamine 3 receptor in r... | 8410988 |
| Serotonin 1 (5-HT1) receptor | Ki | = | 345.0 | nM | 6.46 | Displacement of binding of [3H]-5-HT to 5-hydroxytryptamine 1 receptor in rat ce... | 8410988 |
| Cavia porcellus | Kd | = | 1584.89 | nM | 5.8 | Antagonism to 2-methyl-5-HT induced contractions in guinea pig ileum | 8410988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410988 | 10.1021/jm00071a005 | Serotonin 3 (5-HT3) receptor | 2 |
| 8410988 | 10.1021/jm00071a005 | Serotonin 2 (5-HT2) receptor | 1 |
| 8410988 | 10.1021/jm00071a005 | Cavia porcellus | 1 |
| 8410988 | 10.1021/jm00071a005 | Serotonin 1 (5-HT1) receptor | 1 |
| 8410988 | 10.1021/jm00071a005 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine