Compound Detail
CHEMBL5434650
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(C[C@@H]3C[C@@H](O)CN3CCC(C(=O)N(C)C)(c3ccccc3)c3ccccc3)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL5434650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACUOSRXKTFDQLE-IOWSJCHKSA-N |
4
Targets
9
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
619.2
MW (Da)
4.93
ALogP
6
HBA
1
HBD
59.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.6
Ki 3 meas. best 6.96
IC50 1 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | EC50 | 7.6 | 6.9067 | 25.1 | 3 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.96 | 6.96 | 111.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 6.42 | 6.42 | 377.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.06 | 6.06 | 870.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 5.53 | 5.53 | 2951.2 | 1 |
| Mu-type opioid receptor CHEMBL2858 | EC50 | 5.48 | 5.48 | 3311.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37467430 | 10.1021/acs.jmedchem.3c00417 | Mu-type opioid receptor | 8 |
| 37467430 | 10.1021/acs.jmedchem.3c00417 | D(3) dopamine receptor | 6 |
| 37467430 | 10.1021/acs.jmedchem.3c00417 | D(2) dopamine receptor | 1 |
| 37467430 | 10.1021/acs.jmedchem.3c00417 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine