Compound Detail
CHEMBL428004
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Basic Information
| ChEMBL ID | CHEMBL428004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKEQGSWLJCOTCX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
244.4
MW (Da)
3.79
ALogP
1
HBA
2
HBD
41.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.16 | 5.16 | 6850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 140.0 | nM | 6.85 | Binding affinity against 5-hydroxytryptamine 2 receptor using [3H]ketanserin as ... | 2213830 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 6850.0 | nM | 5.16 | Binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as... | 2213830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2213830 | 10.1021/jm00172a016 | Serotonin 2 (5-HT2) receptor | 1 |
| 2213830 | 10.1021/jm00172a016 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine