Compound Detail
CHEMBL29808
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Basic Information
| ChEMBL ID | CHEMBL29808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGWVDBLPHYBBTH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.53
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL3361 | Ki | 8.55 | 8.55 | 2.8 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.29 | 6.29 | 509.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.4 | 5.4 | 3967.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 2.8 | nM | 8.55 | In vitro binding affinity to rat Dopamine receptor D4 measured by displacement o... | 11378358 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 509.0 | nM | 6.29 | Binding affinity to cloned human 5-hydroxytryptamine 2A receptor | 11378358 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 3967.7 | nM | 5.4 | In vitro binding affinity to human 5-hydroxytryptamine 1A receptor | 11378358 |
Literature References
Data from ChEMBL 36 via Core Engine