Compound Detail
CHEMBL90769
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Basic Information
| ChEMBL ID | CHEMBL90769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDOXKFDPDOIUMG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
1.81
ALogP
5
HBA
0
HBD
56.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 10.2
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Kd | 10.2 | 10.2 | 0.1 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Kd | = | 0.0631 | nM | 10.2 | Antagonism to 2-methyl-5-HT induced contractions in guinea pig ileum | 8410988 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 8.0 | nM | 8.1 | Displacement of binding of [3H]-BRL 43694 to 5-hydroxytryptamine 3 receptor in r... | 8410988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410988 | 10.1021/jm00071a005 | Serotonin 3 (5-HT3) receptor | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 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 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine