Compound Detail
CHEMBL1154
BENZISOTHIAZOLE-3-YL-PIPERAZINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1154 |
| Name | BENZISOTHIAZOLE-3-YL-PIPERAZINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRDOFMHJLWKXIU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
1
Known Names
Molecular Properties
219.3
MW (Da)
1.71
ALogP
4
HBA
1
HBD
28.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | IC50 | = | 110.0 | nM | 6.96 | Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cort... | 1683407 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 190.0 | nM | 6.72 | Binding affinity against 5-hydroxytryptamine 1A receptor using in rat hippocampa... | 1683407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
| 1683407 | 10.1021/jm00115a024 | D(2) dopamine receptor | 1 |
| 1683407 | 10.1021/jm00115a024 | 5-hydroxytryptamine receptor 1A | 1 |
| 1683407 | 10.1021/jm00115a024 | 5-hydroxytryptamine receptor 2A | 1 |
| 1683407 | 10.1021/jm00115a024 | Adrenergic receptor alpha-1 | 1 |
| 1683407 | 10.1021/jm00115a024 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine