Compound Detail
CHEMBL126429
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Basic Information
| ChEMBL ID | CHEMBL126429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXAHKDYRRLVTBS-SJLPKXTDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.3
MW (Da)
4.92
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.03 | 7.03 | 93.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 6.0 | nM | 8.22 | Inhibition of human dopamine D4 receptor | 28489950 |
| D(2) dopamine receptor | Ki | = | 93.0 | nM | 7.03 | Inhibition of human dopamine D2 receptor | 28489950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28489950 | 10.1021/acs.jmedchem.7b00151 | D(2) dopamine receptor | 1 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine