Compound Detail
CHEMBL118637
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 | CHEMBL118637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRWKJOUZUNEUTN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
247.4
MW (Da)
2.35
ALogP
4
HBA
2
HBD
50.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 5.87 | 5.87 | 1350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 1350.0 | nM | 5.87 | in vitro binding affinity was determined on human Dopamine receptor D2L expresse... | 11000009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11000009 | 10.1021/jm000087z | D(2) dopamine receptor | 2 |
| 11000009 | 10.1021/jm000087z | D(3) dopamine receptor | 1 |
| 11000009 | 10.1021/jm000087z | D(4) dopamine receptor | 1 |
| 11000009 | 10.1021/jm000087z | Unchecked | 1 |
| 11000009 | 10.1021/jm000087z | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine