Compound Detail
CHEMBL133018
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Basic Information
| ChEMBL ID | CHEMBL133018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOWASPOXQFROJP-JGKWMGOWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
4.96
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.3 | 7.3 | 50.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 50.12 | nM | 7.3 | Binding affinity against human Dopamine receptor D3 in Chinese hamster ovary cel... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00043-1 | D(3) dopamine receptor | 1 |
| - | 10.1016/0960-894X(96)00043-1 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine