Compound Detail
CHEMBL5267958
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
C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CC[C@@H]1CC[C@H](CNC(=O)c2cc3ccccc3[nH]2)C1
Basic Information
| ChEMBL ID | CHEMBL5267958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIUNPJREZURMGC-AJGMTHFWSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
4.14
ALogP
5
HBA
3
HBD
96.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.24 | 7.65 | 5.7 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.09 | 5.87 | 80.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 5.72 | nM | 8.24 | Displacement of [3H]-(R)-(+)7-OH-DPAT from human dopamine D3 receptor expressed ... | 34699207 |
| D(2) dopamine receptor | Ki | = | 80.8 | nM | 7.09 | Displacement of [3H]-(R)-(+)7-OH-DPAT from human dopamine D2 receptor expressed ... | 34699207 |
| D(3) dopamine receptor | Ki | = | 87.6 | nM | 7.06 | Displacement of [3H]-methylscopolamine from human dopamine D3 receptor expressed... | 34699207 |
| D(2) dopamine receptor | Ki | = | 22600.0 | nM | 4.65 | Displacement of [3H]-methylscopolamine from human dopamine D2 receptor expressed... | 34699207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34699207 | 10.1021/acs.jmedchem.1c01433 | D(2) dopamine receptor | 2 |
| 34699207 | 10.1021/acs.jmedchem.1c01433 | D(3) dopamine receptor | 2 |
| 34699207 | 10.1021/acs.jmedchem.1c01433 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine