Compound Detail
CHEMBL312339
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Basic Information
| ChEMBL ID | CHEMBL312339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEUZUJAHDYTJMN-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
2.20
ALogP
7
HBA
0
HBD
79.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 10.1
Ki 1 meas. best 9.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Kd | 10.1 | 9.77 | 0.1 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.54 | 9.54 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Kd | = | 0.07943 | nM | 10.1 | Compound was tested for its potency against 5-hydroxytryptamine 1A receptor in r... | 9873561 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.2884 | nM | 9.54 | Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat fr... | 9873561 |
| 5-hydroxytryptamine receptor 1A | Kd | = | 0.3631 | nM | 9.44 | Compound was tested for its potency against 5-hydroxytryptamine 1A receptor in r... | 9873561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873561 | 10.1016/s0960-894x(98)00406-5 | 5-hydroxytryptamine receptor 1A | 7 |
Data from ChEMBL 36 via Core Engine