Compound Detail
CHEMBL164000
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Basic Information
| ChEMBL ID | CHEMBL164000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCEOCKZGOJADNT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
428.4
MW (Da)
2.04
ALogP
6
HBA
2
HBD
69.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 9.16 | 9.16 | 0.7 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.89 | 7.89 | 12.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | IC50 | = | 0.69 | nM | 9.16 | Concentration required to inhibit the binding of radioligand [3H]GR-65630 to ser... | 12593651 |
| D(2) dopamine receptor | IC50 | = | 12.9 | nM | 7.89 | Inhibition of the binding of radioligand [3H]spiperone to dopamine receptor D2 i... | 12593651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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