Compound Detail
CHEMBL331819
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Basic Information
| ChEMBL ID | CHEMBL331819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNOXRKDTXMZWLW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
424.6
MW (Da)
3.10
ALogP
6
HBA
2
HBD
73.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | IC50 | 9.19 | 9.19 | 0.7 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | IC50 | = | 0.65 | nM | 9.19 | Ability to displace [3H]-5-HT from recombinant human 5-hydroxytryptamine 1D rece... | 10612601 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 30.0 | nM | 7.52 | Ability to displace [3H]5-HT from recombinant human 5-hydroxytryptamine 1B recep... | 10612601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10612601 | 10.1016/s0960-894x(99)00614-9 | 5-hydroxytryptamine receptor 1D | 3 |
| 10612601 | 10.1016/s0960-894x(99)00614-9 | 5-hydroxytryptamine receptor 1B | 1 |
| 10612601 | 10.1016/s0960-894x(99)00614-9 | Serotonin 1 receptors; 5-HT1B & 5-HT1D | 1 |
Data from ChEMBL 36 via Core Engine