Compound Detail
CHEMBL96622
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Basic Information
| ChEMBL ID | CHEMBL96622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDRWQEOJSGTFNQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
3.58
ALogP
2
HBA
1
HBD
30.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 30.0 | nM | 7.52 | Binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as... | 2213830 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 160.0 | nM | 6.8 | Binding affinity against 5-hydroxytryptamine 2 receptor using [3H]ketanserin 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 |
| 32787106 | 10.1021/acs.jmedchem.0c01039 | ATP-dependent RNA helicase DDX3X | 1 |
Data from ChEMBL 36 via Core Engine