Compound Detail
CHEMBL21802
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Basic Information
| ChEMBL ID | CHEMBL21802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLIBXJUYQINVGV-ZDUSSCGKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
308.8
MW (Da)
2.49
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.19 | 8.19 | 6.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 6.5 | nM | 8.19 | Ability to displace [3H]spiperone from D2 dopamine receptor isolated from the st... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00197-2 | D(2) dopamine receptor | 1 |
| - | 10.1016/0960-894X(95)00197-2 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/0960-894X(95)00197-2 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine