Compound Detail
CHEMBL514848
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Basic Information
| ChEMBL ID | CHEMBL514848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMIAIKWRXUGRQG-QGZVFWFLSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
5.12
ALogP
5
HBA
1
HBD
59.2
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.27 | 8.9067 | 0.5 | 3 |
| D(4) dopamine receptor CHEMBL219 | Ki | 9.26 | 9.26 | 0.6 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.54 | nM | 9.27 | Binding affinity to human cloned dopamine D4.7 receptor | 18378462 |
| D(4) dopamine receptor | Ki | = | 0.55 | nM | 9.26 | Binding affinity to human cloned dopamine D4.4 receptor | 18378462 |
| Unchecked | Ki | = | 1.4 | nM | 8.85 | Binding affinity to adrenergic alpha1 receptor | 18378462 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1.92 | nM | 8.72 | Binding affinity to 5HT2A | 18378462 |
| Unchecked | Ki | = | 2.54 | nM | 8.6 | Binding affinity to human cloned dopamine D4.2 receptor | 18378462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18378462 | 10.1016/j.bmc.2008.02.091 | Unchecked | 3 |
| 18378462 | 10.1016/j.bmc.2008.02.091 | D(4) dopamine receptor | 1 |
| 18378462 | 10.1016/j.bmc.2008.02.091 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine