Compound Detail
CHEMBL256448
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Basic Information
| ChEMBL ID | CHEMBL256448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVVKXRQZSRUVPY-OAHLLOKOSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
2.54
ALogP
4
HBA
3
HBD
61.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
EC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 130.0 | nM | 6.89 | Displacement of [3H]raclopride from rat striatal dopamine D2 receptor | 9644051 |
| D(1A) dopamine receptor | IC50 | = | 240.0 | nM | 6.62 | Displacement of [3H]SCH-23390 from rat striatal dopamine D1 receptor | 9644051 |
| Human immunodeficiency virus 1 | EC50 | = | 2800.0 | nM | 5.55 | Antiviral activity against HIV1 3B infected in H9 cells assessed as inhibition o... | 20187635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18316190 | 10.1016/j.bmcl.2008.02.040 | Human immunodeficiency virus | 1 |
| 9644051 | 10.1021/np980008a | D(2) dopamine receptor | 1 |
| 9644051 | 10.1021/np980008a | D(1A) dopamine receptor | 1 |
| 20187635 | 10.1021/np900821e | Human immunodeficiency virus 1 | 1 |
| 20187635 | 10.1021/np900821e | ADMET | 1 |
Data from ChEMBL 36 via Core Engine