Compound Detail
CHEMBL219179
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Basic Information
| ChEMBL ID | CHEMBL219179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBDXXUZXRDBOGH-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
1.99
ALogP
5
HBA
2
HBD
68.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.62
Ki 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | EC50 | 8.62 | 8.62 | 2.4 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| D(4) dopamine receptor CHEMBL3361 | EC50 | 7.86 | 7.86 | 13.7 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | EC50 | = | 2.4 | nM | 8.62 | Agonist activity at human D4.4 receptor in HEK293 cells coexpressing G-alpha-qo5... | 17149874 |
| Unchecked | EC50 | = | 5.0 | nM | 8.3 | Agonist activity at ferret D4 receptor in HEK293 cells coexpressing G-alpha-qo5 ... | 17149874 |
| D(4) dopamine receptor | EC50 | = | 13.7 | nM | 7.86 | Agonist activity at rat D4 receptor in HEK293 cells coexpressing G-alpha-qo5 by ... | 17149874 |
| D(4) dopamine receptor | Ki | = | 17.0 | nM | 7.77 | Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell memb... | 17149874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17149874 | 10.1021/jm060662k | D(4) dopamine receptor | 6 |
| 17149874 | 10.1021/jm060662k | D(2) dopamine receptor | 5 |
| 17149874 | 10.1021/jm060662k | Unchecked | 2 |
| 17149874 | 10.1021/jm060662k | Mustela putorius furo | 2 |
| 17149874 | 10.1021/jm060662k | D(3) dopamine receptor | 1 |
| 17149874 | 10.1021/jm060662k | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine