Compound Detail
CHEMBL2164345
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Basic Information
| ChEMBL ID | CHEMBL2164345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWFGLAPRAYASEM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
433.6
MW (Da)
5.67
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.6 | 6.6 | 252.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 14.01 | nM | 7.85 | Displacement of [3H]8-OH-DPAT from human cloned 5-HT1A receptor expressed in CHO... | 22738628 |
| D(4) dopamine receptor | Ki | = | 252.0 | nM | 6.6 | Displacement of [3H]-YM-09151-2 from human cloned D4 receptor expressed in Sf9 c... | 22738628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22738628 | 10.1016/j.bmcl.2012.05.119 | D(4) dopamine receptor | 3 |
| 22738628 | 10.1016/j.bmcl.2012.05.119 | 5-hydroxytryptamine receptor 1A | 3 |
| 22738628 | 10.1016/j.bmcl.2012.05.119 | No relevant target | 1 |
| 22738628 | 10.1016/j.bmcl.2012.05.119 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine