Compound Detail
CHEMBL250003
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Basic Information
| ChEMBL ID | CHEMBL250003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZDVSSOINOOOOJ-ZDUSSCGKSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
1.88
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | EC50 | 7.5 | 7.5 | 32.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 188.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | EC50 | = | 32.0 | nM | 7.5 | Agonist activity at human recombinant dopamine D3 receptor expressed in CHO cell... | 17976986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17976986 | 10.1016/j.bmcl.2007.10.059 | D(3) dopamine receptor | 2 |
| 17976986 | 10.1016/j.bmcl.2007.10.059 | D(2) dopamine receptor | 1 |
| 17976986 | 10.1016/j.bmcl.2007.10.059 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine