Compound Detail
CHEMBL609611
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Basic Information
| ChEMBL ID | CHEMBL609611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSFBLSXHRFJARJ-YVEFUNNKSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
3.76
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.75
Ki 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.34 | 7.34 | 45.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 18.0 | nM | 7.75 | Agonist activity at 5HT1A receptor expressed in CHO cells assessed as inhibition... | 20041669 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 45.3 | nM | 7.34 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells by liqu... | 20041669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20041669 | 10.1021/jm9015763 | 5-hydroxytryptamine receptor 1A | 5 |
| 20041669 | 10.1021/jm9015763 | Rattus norvegicus | 4 |
| 20041669 | 10.1021/jm9015763 | D(1A) dopamine receptor | 1 |
| 20041669 | 10.1021/jm9015763 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine