Compound Detail
CHEMBL85018
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL85018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFACRBHSWWBVIG-MXVIHJGJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.6
MW (Da)
5.19
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 110.0 | nM | 6.96 | In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by ... | 9003524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9003524 | 10.1021/jm960597m | Rattus norvegicus | 2 |
| 9003524 | 10.1021/jm960597m | D(2) dopamine receptor | 1 |
| 9003524 | 10.1021/jm960597m | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine