Compound Detail
CHEMBL177896
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Basic Information
| ChEMBL ID | CHEMBL177896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDBHDGOTVMHOQG-RDJZCZTQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
369.9
MW (Da)
4.44
ALogP
3
HBA
2
HBD
31.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.4 | 6.69 | 40.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 40.0 | nM | 7.4 | In vitro binding affinity for Dopamine receptor D1 | 15689153 |
| Unchecked | Ki | = | 1040.0 | nM | 5.98 | 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