Compound Detail
CHEMBL416732
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Basic Information
| ChEMBL ID | CHEMBL416732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBRKLUSXDYATLG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
1.30
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 5.27 | 5.27 | 5400.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 5400.0 | nM | 5.27 | Potency was measured by the displacement of [3H]spiperone binding to human D2 do... | - |
| D(4) dopamine receptor | Ki | = | 6400.0 | nM | 5.19 | Potency was measured by the displacement of [3H]-spiperone binding to human D4 d... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 14611843 | 10.1016/s0960-894x(03)00583-3 | ADMET | 1 |
| - | 10.1016/S0960-894X(97)00194-7 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00194-7 | D(4) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00194-7 | Dopamine receptors; D2 & D4 | 1 |
| 18316190 | 10.1016/j.bmcl.2008.02.040 | Human immunodeficiency virus | 1 |
| 24559070 | 10.1021/np4009927 | Unchecked | 1 |
| 31625751 | 10.1021/acs.jnatprod.9b00418 | Beta-1 adrenergic receptor | 1 |
| 31625751 | 10.1021/acs.jnatprod.9b00418 | Alpha-1B adrenergic receptor | 1 |
| 31625751 | 10.1021/acs.jnatprod.9b00418 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine