Compound Detail
CHEMBL291296
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Basic Information
| ChEMBL ID | CHEMBL291296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHFICXQBISNVSL-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
414.4
MW (Da)
1.28
ALogP
6
HBA
1
HBD
60.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 8.0 | 8.0 | 9.9 | 2 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.12 | 7.12 | 75.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | IC50 | = | 9.9 | nM | 8.0 | Inhibition of [3H]GR-65630 binding to rat cortical membrane 5-hydroxytryptamine ... | 9873388 |
| Serotonin 3 (5-HT3) receptor | IC50 | = | 9.93 | nM | 8.0 | Concentration required to inhibit the binding of radioligand [3H]GR-65630 to ser... | 12593651 |
| D(2) dopamine receptor | IC50 | = | 75.0 | nM | 7.12 | Inhibition of [3H]- spiperone binding to rat brain Dopamine receptor D2 | 9873388 |
| D(2) dopamine receptor | IC50 | = | 75.2 | nM | 7.12 | Inhibition of the binding of radioligand [3H]spiperone to dopamine receptor D2 i... | 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 |
| 12593651 | 10.1021/jm020270n | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine