Compound Detail
CHEMBL58613
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Basic Information
| ChEMBL ID | CHEMBL58613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUACSDTUNPSEBC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
4.36
ALogP
4
HBA
0
HBD
36.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 8.29 | 8.29 | 5.1 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 8.09 | 8.09 | 8.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 1.5 | nM | 8.82 | Potency to displace [3H]- WB-4101 from alpha-1 adrenergic receptor in rat striat... | 2902226 |
| D(2) dopamine receptor | Ki | = | 5.1 | nM | 8.29 | Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum | 2902226 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 8.2 | nM | 8.09 | Potency to displace [3H]- Spiperone from 5-hydroxytryptamine 2 receptor in rat s... | 2902226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2902226 | 10.1021/jm00118a011 | Rattus norvegicus | 2 |
| 2902226 | 10.1021/jm00118a011 | D(2) dopamine receptor | 1 |
| 2902226 | 10.1021/jm00118a011 | Unchecked | 1 |
| 2902226 | 10.1021/jm00118a011 | Adrenergic receptor alpha-1 | 1 |
| 2902226 | 10.1021/jm00118a011 | Serotonin 2 (5-HT2) receptor | 1 |
| 2902226 | 10.1021/jm00118a011 | Dopamine receptor | 1 |
| 2902226 | 10.1021/jm00118a011 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine