Compound Detail
CHEMBL2159459
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Basic Information
| ChEMBL ID | CHEMBL2159459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTXUZPFGBADASP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
3.03
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 6.08 | 6.08 | 839.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.04 | 6.04 | 903.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.87 | 5.87 | 1362.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.67 | 5.67 | 2124.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 839.0 | nM | 6.08 | Binding affinity to human dopamine D2L receptor expressed in HEK293 cells after ... | 22926225 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 903.0 | nM | 6.04 | Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 ce... | 22926225 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 1362.0 | nM | 5.87 | Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cells a... | 22926225 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 2124.0 | nM | 5.67 | Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells aft... | 22926225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22926225 | 10.1016/j.ejmech.2012.07.043 | 5-hydroxytryptamine receptor 7 | 1 |
| 22926225 | 10.1016/j.ejmech.2012.07.043 | 5-hydroxytryptamine receptor 1A | 1 |
| 22926225 | 10.1016/j.ejmech.2012.07.043 | 5-hydroxytryptamine receptor 6 | 1 |
| 22926225 | 10.1016/j.ejmech.2012.07.043 | D(2) dopamine receptor | 1 |
| 22926225 | 10.1016/j.ejmech.2012.07.043 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine