Compound Detail
CHEMBL296254
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Basic Information
| ChEMBL ID | CHEMBL296254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSXIWGZHXBZYNQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
3.30
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Dopamine receptor CHEMBL2093868 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1333 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 15.0 | nM | 7.82 | In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH... | 15026055 |
| Dopamine receptor | IC50 | = | 430.0 | nM | 6.37 | Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striata... | 6131130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6131130 | 10.1021/jm00356a014 | Rattus norvegicus | 2 |
| 15026055 | 10.1016/j.bmcl.2004.01.045 | 5-hydroxytryptamine receptor 1A | 1 |
| 15026055 | 10.1016/j.bmcl.2004.01.045 | ADMET | 1 |
| 6131130 | 10.1021/jm00356a014 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine