Compound Detail
CHEMBL302994
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Basic Information
| ChEMBL ID | CHEMBL302994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYHYLXRVYVASMT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
5.38
ALogP
2
HBA
1
HBD
36.1
PSA (Ų)
0.56
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.07 | 8.07 | 8.6 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 6.97 | 6.97 | 108.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.75 | 6.75 | 177.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 8.6 | nM | 8.07 | Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, usin... | 7783152 |
| D(3) dopamine receptor | Ki | = | 108.0 | nM | 6.97 | Binding affinity against Dopamine receptor D3 expressed in CHO-K1 cells, using [... | 7783152 |
| D(2) dopamine receptor | Ki | = | 177.0 | nM | 6.75 | Binding affinity against Dopamine receptor D2 expressed in CHO-K1 cells, using [... | 7783152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783152 | 10.1021/jm00012a021 | 5-hydroxytryptamine receptor 1A | 1 |
| 7783152 | 10.1021/jm00012a021 | D(2) dopamine receptor | 1 |
| 7783152 | 10.1021/jm00012a021 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine