Compound Detail
CHEMBL177331
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Basic Information
| ChEMBL ID | CHEMBL177331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPKZHLPZHKHTPD-CYBMUJFWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
327.8
MW (Da)
3.54
ALogP
3
HBA
2
HBD
52.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.46 | 5.73 | 350.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 350.0 | nM | 6.46 | In vitro binding affinity for Dopamine receptor D1 | 15689153 |
| Unchecked | Ki | = | 10000.0 | nM | 5.0 | In vitro binding affinity for Dopamine receptor D2 | 15689153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15689153 | 10.1021/jm030614p | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine