Compound Detail
CHEMBL161694
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Basic Information
| ChEMBL ID | CHEMBL161694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLBCZDIVUFQNTI-HDJSIYSDSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
3.26
ALogP
4
HBA
1
HBD
58.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.03
Kd 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | IC50 | 6.03 | 6.03 | 933.2 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | IC50 | 5.82 | 5.82 | 1513.6 | 1 |
| Oryctolagus cuniculus CHEMBL374 | Kd | 5.12 | 5.12 | 7585.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | IC50 | = | 933.25 | nM | 6.03 | Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D r... | 11262079 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 1513.56 | nM | 5.82 | Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytry... | 11262079 |
| Oryctolagus cuniculus | Kd | = | 7585.78 | nM | 5.12 | Relative binding affinity in rabbit saphenous vein functional assay compared to ... | 11262079 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11262079 | 10.1021/jm000956k | 5-hydroxytryptamine receptor 1B | 1 |
| 11262079 | 10.1021/jm000956k | 5-hydroxytryptamine receptor 1D | 1 |
| 11262079 | 10.1021/jm000956k | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine