Compound Detail
CHEMBL492418
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Basic Information
| ChEMBL ID | CHEMBL492418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXTBDJZGDJJCQU-UHFFFAOYSA-N |
5
Targets
7
Activities
3
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
3.83
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.19
IC50 2 meas. best 5.27
EC50 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.19 | 7.185 | 64.7 | 2 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.38 | 5.29 | 4140.0 | 2 |
| DNA polymerase CHEMBL3988586 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Vaccinia virus CHEMBL613493 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 64.71 | nM | 7.19 | Displacement of [3H]-raclopride from D2 receptor of Wistar rat striatal membrane... | 23886690 |
| D(2) dopamine receptor | Ki | = | 66.0 | nM | 7.18 | Displacement of [3H]-raclopride from D2 receptor of Wistar rat striatal membrane... | 23886690 |
| D(1A) dopamine receptor | Ki | = | 4140.0 | nM | 5.38 | Displacement of [3H]-SCH23390 from D1 receptor of Wistar rat striatal membranes ... | 23886690 |
| Vaccinia virus | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of Vaccinia virus DNA synthesis in by rapid plate assay | 18808105 |
| DNA polymerase | IC50 | = | 5400.0 | nM | 5.27 | Inhibition Assay: A rapid plate DNA synthesis assay was performed using optimize... | - |
| Trypanosoma brucei brucei | EC50 | = | 6300.0 | nM | 5.2 | Antitrypanosomal activity against Trypanosoma brucei brucei MiTat 1.2 strain 427... | 20008775 |
| D(1A) dopamine receptor | Ki | = | 6347.0 | nM | 5.2 | Displacement of [3H]-SCH23390 from D1 receptor of Wistar rat striatal membranes ... | 23886690 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20008775 | 10.1128/aac.01025-09 | Unchecked | 8 |
| 20008775 | 10.1128/aac.01025-09 | Trypanosoma brucei brucei | 5 |
| 18808105 | 10.1021/jm800366g | Vaccinia virus | 3 |
| 23886690 | 10.1016/j.bmcl.2013.06.078 | D(2) dopamine receptor | 2 |
| 23886690 | 10.1016/j.bmcl.2013.06.078 | D(1A) dopamine receptor | 2 |
| 18808105 | 10.1021/jm800366g | ADMET | 1 |
| 20008775 | 10.1128/aac.01025-09 | Nucleic Acid | 1 |
| 23886690 | 10.1016/j.bmcl.2013.06.078 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine