Compound Detail
CHEMBL3099224
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Basic Information
| ChEMBL ID | CHEMBL3099224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNEAOJOTUTYTOU-LOCPCMAASA-N |
| Parent Compound | CHEMBL3139012 |
| Active Moiety | CHEMBL3139012 |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
1.19
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 91.67 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 5.0 | % | Rattus norvegicus |
| T1/2 | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | EC50 | = | 4.0 | nM | 8.4 | Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed a... | 24296012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24296012 | 10.1016/j.bmc.2013.11.012 | Rattus norvegicus | 4 |
| 24296012 | 10.1016/j.bmc.2013.11.012 | D(2) dopamine receptor | 3 |
| 24296012 | 10.1016/j.bmc.2013.11.012 | Hepatocyte | 1 |
| 24296012 | 10.1016/j.bmc.2013.11.012 | Liver microsome | 1 |
| 24296012 | 10.1016/j.bmc.2013.11.012 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine