Compound Detail
CHEMBL368482
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Basic Information
| ChEMBL ID | CHEMBL368482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRFMTVYXVXWQSG-RDJZCZTQSA-N |
1
Targets
6
Activities
1
Assay Types
4
PK Parameters
2
Publications
0
Known Names
Molecular Properties
353.9
MW (Da)
3.86
ALogP
3
HBA
2
HBD
52.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.38 | 6.8217 | 4.2 | 6 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5900.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 3673.87 | nM | Rattus norvegicus |
| F | 87.0 | % | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 4.2 | nM | 8.38 | In vitro binding affinity for Dopamine receptor D5 | 15689153 |
| Unchecked | Ki | = | 7.0 | nM | 8.15 | In vitro binding affinity for Dopamine receptor D1 | 15689153 |
| Unchecked | Ki | = | 72.0 | nM | 7.14 | In vitro binding affinity for alpha 2a adrenergic receptor | 15689153 |
| Unchecked | Ki | = | 540.0 | nM | 6.27 | In vitro binding affinity for 5-HT transporter | 15689153 |
| Unchecked | Ki | = | 1023.0 | nM | 5.99 | In vitro binding affinity for Dopamine receptor D2 | 15689153 |
| Unchecked | Ki | = | 10000.0 | nM | 5.0 | In vitro binding affinity for Dopamine receptor D4 | 15689153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15689153 | 10.1021/jm030614p | Unchecked | 7 |
| 15689153 | 10.1021/jm030614p | ADMET | 4 |
Data from ChEMBL 36 via Core Engine