Compound Detail
CHEMBL5088070
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 | CHEMBL5088070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJKSHVBEJFBNJR-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
490.1
MW (Da)
5.49
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 9.07 | 9.07 | 0.8 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.69 | 7.53 | 20.3 | 2 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.19 | 7.19 | 64.8 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.16 | 6.935 | 69.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.842 | nM | 9.07 | Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell... | 34011153 |
| D(2) dopamine receptor | Ki | = | 20.3 | nM | 7.69 | Displacement of [3H]-(R)-(+)7-OH-DPAT from human dopamine D2 receptor expressed ... | 34011153 |
| D(2) dopamine receptor | Ki | = | 43.0 | nM | 7.37 | Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor expressed... | 34011153 |
| D(4) dopamine receptor | Ki | = | 64.8 | nM | 7.19 | Displacement of [3H]-N-methylspiperone from human dopamine D4 receptor expressed... | 34011153 |
| D(3) dopamine receptor | Ki | = | 69.0 | nM | 7.16 | Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed... | 34011153 |
| D(3) dopamine receptor | Ki | = | 197.0 | nM | 6.71 | Displacement of [3H]-(R)-(+)7-OH-DPAT from human dopamine D3 receptor expressed ... | 34011153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34011153 | 10.1021/acs.jmedchem.1c00611 | D(2) dopamine receptor | 2 |
| 34011153 | 10.1021/acs.jmedchem.1c00611 | D(3) dopamine receptor | 2 |
| 34011153 | 10.1021/acs.jmedchem.1c00611 | Mu-type opioid receptor | 1 |
| 34011153 | 10.1021/acs.jmedchem.1c00611 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine