Compound Detail
CHEMBL423499
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 | CHEMBL423499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKRNNVUISXJKDT-MEMLXQNLSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
388.6
MW (Da)
5.05
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.66
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.59
EC50 1 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.59 | 7.945 | 2.6 | 2 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 8.55 | 8.55 | 2.8 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.14 | 7.14 | 73.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 2.6 | nM | 8.59 | Binding affinity was determined in vitro on rat striatum using [3H]N-propylnorap... | 9003524 |
| D(2) dopamine receptor | EC50 | = | 2.8 | nM | 8.55 | Inhibition of [3H]thymidine uptake by Dopamine receptor D2 | 9003524 |
| D(3) dopamine receptor | Ki | = | 29.0 | nM | 7.54 | In vitro binding affinity towards human recombinant Dopamine receptor D3 recepto... | 9003524 |
| D(2) dopamine receptor | Ki | = | 50.0 | nM | 7.3 | In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by ... | 9003524 |
| D(4) dopamine receptor | Ki | = | 73.0 | nM | 7.14 | In vitro binding affinity towards human recombinant Dopamine receptor D4 express... | 9003524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9003524 | 10.1021/jm960597m | Rattus norvegicus | 6 |
| 9003524 | 10.1021/jm960597m | D(2) dopamine receptor | 4 |
| 9003524 | 10.1021/jm960597m | Mus musculus | 2 |
| 9003524 | 10.1021/jm960597m | Unchecked | 2 |
| 9003524 | 10.1021/jm960597m | D(3) dopamine receptor | 1 |
| 9003524 | 10.1021/jm960597m | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine