Compound Detail
CHEMBL256492
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Basic Information
| ChEMBL ID | CHEMBL256492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKHJOYFNYFVDRF-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
3.37
ALogP
5
HBA
0
HBD
34.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.68 | 7.34 | 21.0 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.51 | 6.51 | 310.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL2490 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
| D(1A) dopamine receptor CHEMBL5067 | Ki | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 1.8 | nM | 8.74 | Binding affinity to human dopamine D4.4 receptor | 18164618 |
| Unchecked | Ki | = | 21.0 | nM | 7.68 | Displacement of [3H]prazosin from pig cortical membrane adrenergic alpha-1 recep... | 18164618 |
| Unchecked | Ki | = | 100.0 | nM | 7.0 | Binding affinity to pig cortical membrane 5HT1A receptor | 18164618 |
| D(2) dopamine receptor | Ki | = | 310.0 | nM | 6.51 | Binding affinity to human dopamine D2 long receptor | 18164618 |
| D(3) dopamine receptor | Ki | = | 1100.0 | nM | 5.96 | Binding affinity to human D3 receptor | 18164618 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2100.0 | nM | 5.68 | Displacement of [3H]ketanserin from pig cortical membrane 5HT2 receptor | 18164618 |
| D(1A) dopamine receptor | Ki | = | 5400.0 | nM | 5.27 | Binding affinity to pig cortical membrane dopamine D1 receptor | 18164618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18164618 | 10.1016/j.bmcl.2007.12.026 | Unchecked | 2 |
| 18164618 | 10.1016/j.bmcl.2007.12.026 | D(1A) dopamine receptor | 1 |
| 18164618 | 10.1016/j.bmcl.2007.12.026 | D(2) dopamine receptor | 1 |
| 18164618 | 10.1016/j.bmcl.2007.12.026 | D(3) dopamine receptor | 1 |
| 18164618 | 10.1016/j.bmcl.2007.12.026 | D(4) dopamine receptor | 1 |
| 18164618 | 10.1016/j.bmcl.2007.12.026 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine