Compound Detail
CHEMBL172601
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL172601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEQQYRMROCWKNF-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
4.72
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 8.03 | 8.03 | 9.2 | 2 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.55 | 7.55 | 28.0 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.74 | 6.74 | 184.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 9.24 | nM | 8.03 | In vitro binding affinity measured on serotonin 5-hydroxytryptamine 1A receptor ... | 7699710 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 9.24 | nM | 8.03 | Binding affinity towards rat 5-hydroxytryptamine 1A receptor was evaluated using... | 8960552 |
| D(2) dopamine receptor | IC50 | = | 28.0 | nM | 7.55 | In vitro binding affinity measured on dopamine receptor D2 using [3H]spiroperido... | 7699710 |
| D(2) dopamine receptor | IC50 | = | 28.0 | nM | 7.55 | Binding affinity towards rat Dopamine receptor D2 was evaluated using [3H]- spir... | 8960552 |
| Adrenergic receptor alpha-1 | IC50 | = | 184.0 | nM | 6.74 | In vitro binding affinity measured on alpha-1 adrenergic receptor using [3H]praz... | 7699710 |
| Adrenergic receptor alpha-1 | IC50 | = | 184.0 | nM | 6.74 | Binding affinity towards rat Alpha-1 adrenergic receptor was evaluated using [3H... | 8960552 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8960552 | 10.1021/jm9604538 | Adrenergic receptor alpha-1 | 2 |
| 7699710 | 10.1021/jm00006a013 | 5-hydroxytryptamine receptor 1A | 1 |
| 7699710 | 10.1021/jm00006a013 | Serotonin 2 (5-HT2) receptor | 1 |
| 7699710 | 10.1021/jm00006a013 | D(2) dopamine receptor | 1 |
| 7699710 | 10.1021/jm00006a013 | Adrenergic receptor alpha-1 | 1 |
| 7699710 | 10.1021/jm00006a013 | Sigma non-opioid intracellular receptor 1 | 1 |
| 7699710 | 10.1021/jm00006a013 | Unchecked | 1 |
| 7699710 | 10.1021/jm00006a013 | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 | 1 |
| 8960552 | 10.1021/jm9604538 | 5-hydroxytryptamine receptor 1A | 1 |
| 8960552 | 10.1021/jm9604538 | D(2) dopamine receptor | 1 |
| 8960552 | 10.1021/jm9604538 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine