Compound Detail
CHEMBL545449
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Basic Information
| ChEMBL ID | CHEMBL545449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMDZXQQHXSZJBH-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1193958 |
| Active Moiety | CHEMBL1193958 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
2.43
ALogP
6
HBA
0
HBD
56.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 18.0 | nM | 7.75 | Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hy... | 1695682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1695682 | 10.1021/jm00170a009 | Serotonin 3 (5-HT3) receptor | 1 |
| 1695682 | 10.1021/jm00170a009 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine