Compound Detail
CHEMBL544784
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Basic Information
| ChEMBL ID | CHEMBL544784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEMWWRCTBNOHCX-UNTBIKODSA-N |
| Parent Compound | CHEMBL1193388 |
| Active Moiety | CHEMBL1193388 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
2.76
ALogP
3
HBA
0
HBD
25.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 9.8 | 9.8 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 0.1585 | nM | 9.8 | Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cor... | 8410977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410977 | 10.1021/jm00070a008 | Serotonin 3 (5-HT3) receptor | 1 |
| 8410977 | 10.1021/jm00070a008 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine