Compound Detail
CHEMBL416047
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Basic Information
| ChEMBL ID | CHEMBL416047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKDXBULKZKICQO-LLVKDONJSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
400.3
MW (Da)
1.26
ALogP
6
HBA
2
HBD
69.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 8.96 | 8.94 | 1.1 | 2 |
| D(3) dopamine receptor CHEMBL3138 | IC50 | 8.95 | 8.95 | 1.1 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 8.16 | 8.04 | 6.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | IC50 | = | 1.1 | nM | 8.96 | Inhibition of [3H]GR-65630 binding to rat cortical membrane 5-hydroxytryptamine ... | 9873388 |
| D(3) dopamine receptor | IC50 | = | 1.13 | nM | 8.95 | Concentration of compound required to inhibit the binding of radioligand [3H](R)... | 12593651 |
| Serotonin 3 (5-HT3) receptor | IC50 | = | 1.2 | nM | 8.92 | Concentration required to inhibit the binding of radioligand [3H]GR-65630 to ser... | 12593651 |
| D(2) dopamine receptor | IC50 | = | 6.88 | nM | 8.16 | Inhibition of the binding of radioligand [3H]spiperone to dopamine receptor D2 i... | 12593651 |
| D(2) dopamine receptor | IC50 | = | 12.0 | nM | 7.92 | Inhibition of [3H]- spiperone binding to rat brain Dopamine receptor D2 | 9873388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12593651 | 10.1021/jm020270n | Canis familiaris | 2 |
| 9873388 | 10.1016/s0960-894x(98)00258-3 | D(2) dopamine receptor | 1 |
| 9873388 | 10.1016/s0960-894x(98)00258-3 | Serotonin 3 (5-HT3) receptor | 1 |
| 12593651 | 10.1021/jm020270n | D(2) dopamine receptor | 1 |
| 12593651 | 10.1021/jm020270n | Serotonin 3 (5-HT3) receptor | 1 |
| 12593651 | 10.1021/jm020270n | D(3) dopamine receptor | 1 |
| 12593651 | 10.1021/jm020270n | 5-hydroxytryptamine receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine