Compound Detail
CHEMBL5424241
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
CCc1cc(Cl)c(OC)c(N2CCN(CC[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL5424241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTLPQCZWUVHUDG-MEMLXQNLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
480.1
MW (Da)
5.51
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.56
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.41 | 7.41 | 38.8 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.17 | 7.17 | 68.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 38.8 | nM | 7.41 | Displacement of [3H]N-methylspiperone from human D3 receptor in HEK293 cell memb... | 36661568 |
| D(2) dopamine receptor | Ki | = | 68.1 | nM | 7.17 | Displacement of [3H]N-methylspiperone from human D2 receptor in HEK293 cell memb... | 36661568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36661568 | 10.1021/acs.jmedchem.2c01624 | D(2) dopamine receptor | 1 |
| 36661568 | 10.1021/acs.jmedchem.2c01624 | D(3) dopamine receptor | 1 |
| 36661568 | 10.1021/acs.jmedchem.2c01624 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine