Compound Detail
CHEMBL154274
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Basic Information
| ChEMBL ID | CHEMBL154274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCIBSJABYJIGGA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
3
PK Parameters
15
Publications
0
Known Names
Molecular Properties
505.2
MW (Da)
3.43
ALogP
5
HBA
2
HBD
70.7
PSA (Ų)
0.65
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.99 | 8.99 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 17.0 | uM min uM-1 | Rattus norvegicus |
| CL | 43.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 20.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 1.0 | nM | 9.0 | Binding affinity against human 5-hydroxytryptamine 6 receptor | 11140733 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 1.023 | nM | 8.99 | Compound was evaluated for binding affinity against human cloned 5-hydroxytrypta... | 11140733 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 3162.28 | nM | 5.5 | Compound was evaluated for the binding affinity against human cloned 5-hydroxytr... | 11140733 |
Literature References
Data from ChEMBL 36 via Core Engine