Compound Detail
CHEMBL290959
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Basic Information
| ChEMBL ID | CHEMBL290959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQAOXCXKUPNSLL-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
341.8
MW (Da)
0.69
ALogP
6
HBA
2
HBD
83.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 8.29 | 8.29 | 5.1 | 2 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.41 | 6.41 | 386.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | IC50 | = | 5.1 | nM | 8.29 | Inhibition of [3H]GR-65630 binding to rat cortical membrane 5-hydroxytryptamine ... | 9873388 |
| Serotonin 3 (5-HT3) receptor | IC50 | = | 5.14 | nM | 8.29 | Concentration required to inhibit the binding of radioligand [3H]GR-65630 to ser... | 12593651 |
| D(2) dopamine receptor | IC50 | = | 386.0 | nM | 6.41 | Inhibition of [3H]- spiperone binding to rat brain Dopamine receptor D2 | 9873388 |
| D(2) dopamine receptor | IC50 | = | 386.0 | nM | 6.41 | Concentration of compound required to inhibit the binding of radioligand [3H]spi... | 12593651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine