Compound Detail
CHEMBL362487
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Basic Information
| ChEMBL ID | CHEMBL362487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJCGMHIIDQGXLP-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
372.9
MW (Da)
3.91
ALogP
4
HBA
1
HBD
51.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.4
IC50 1 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.42 | 6.42 | 383.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.22 | 6.22 | 599.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.2 | 6.2 | 627.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 0.4 | nM | 9.4 | Binding affinity against cloned human 5-hydroxytryptamine 6 receptor expressed i... | 15603958 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 8.8 | nM | 8.06 | Inhibitory concentration against 5-HT stimulated cAMP production in HeLa cells s... | 15603958 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 383.0 | nM | 6.42 | Binding affinity against human cloned 5-hydroxytryptamine 2C receptor stably exp... | 15603958 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 599.0 | nM | 6.22 | Binding affinity against human cloned 5-hydroxytryptamine 2A receptor stably exp... | 15603958 |
| D(3) dopamine receptor | Ki | = | 627.0 | nM | 6.2 | Binding affinity against human cloned Dopamine receptor D3 stably expressed in C... | 15603958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15603958 | 10.1016/j.bmcl.2004.10.064 | 5-hydroxytryptamine receptor 6 | 3 |
| 15603958 | 10.1016/j.bmcl.2004.10.064 | 5-hydroxytryptamine receptor 7 | 1 |
| 15603958 | 10.1016/j.bmcl.2004.10.064 | D(2) dopamine receptor | 1 |
| 15603958 | 10.1016/j.bmcl.2004.10.064 | D(3) dopamine receptor | 1 |
| 15603958 | 10.1016/j.bmcl.2004.10.064 | D(4) dopamine receptor | 1 |
| 15603958 | 10.1016/j.bmcl.2004.10.064 | 5-hydroxytryptamine receptor 1A | 1 |
| 15603958 | 10.1016/j.bmcl.2004.10.064 | 5-hydroxytryptamine receptor 1B | 1 |
| 15603958 | 10.1016/j.bmcl.2004.10.064 | 5-hydroxytryptamine receptor 1D | 1 |
| 15603958 | 10.1016/j.bmcl.2004.10.064 | 5-hydroxytryptamine receptor 1F | 1 |
| 15603958 | 10.1016/j.bmcl.2004.10.064 | 5-hydroxytryptamine receptor 2A | 1 |
| 15603958 | 10.1016/j.bmcl.2004.10.064 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine