Compound Detail
CHEMBL146556
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Basic Information
| ChEMBL ID | CHEMBL146556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYPJMEGEBKHODC-UHFFFAOYSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
2.99
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.62 | 8.62 | 2.4 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.6 | 6.6 | 249.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.47 | 6.47 | 336.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.27 | 6.27 | 540.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.13 | 6.13 | 738.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 6.01 | 6.01 | 967.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.55 | 5.55 | 2840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.6 | nM | 8.8 | Inhibition of sigma1 receptor (unknown origin) | 28489950 |
| Unchecked | Ki | = | 2.4 | nM | 8.62 | Inhibition of human dopamine D4.4 receptor | 28489950 |
| Alpha-2A adrenergic receptor | Ki | = | 249.0 | nM | 6.6 | Inhibition of alpha2A adrenergic receptor (unknown origin) | 28489950 |
| Alpha-2C adrenergic receptor | Ki | = | 336.0 | nM | 6.47 | Inhibition of alpha2C adrenergic receptor (unknown origin) | 28489950 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 540.0 | nM | 6.27 | Inhibition of serotonin 5-HT1A receptor (unknown origin) | 28489950 |
| D(2) dopamine receptor | Ki | = | 738.0 | nM | 6.13 | Inhibition of human dopamine D2 receptor | 28489950 |
| Adrenergic receptor alpha-1 | Ki | = | 967.0 | nM | 6.01 | Inhibition of alpha1 adrenergic receptor (unknown origin) | 28489950 |
| D(3) dopamine receptor | Ki | = | 2840.0 | nM | 5.55 | Inhibition of human dopamine D3 receptor | 28489950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11170639 | 10.1021/jm0002432 | Rodentia sp. | 6 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | Unchecked | 1 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | D(1A) dopamine receptor | 1 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | D(2) dopamine receptor | 1 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | D(3) dopamine receptor | 1 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | D(1B) dopamine receptor | 1 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | 5-hydroxytryptamine receptor 1A | 1 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | Alpha-2A adrenergic receptor | 1 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | Alpha-2C adrenergic receptor | 1 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | Sigma non-opioid intracellular receptor 1 | 1 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine