Compound Detail
CHEMBL318111
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Basic Information
| ChEMBL ID | CHEMBL318111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEXUKNQDDPKEIF-OAHLLOKOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
3.41
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 9.62 | 9.62 | 0.2 | 1 |
| Dopamine receptor CHEMBL2093868 | Ki | 8.38 | 8.38 | 4.2 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.21 | 6.21 | 617.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.24 | nM | 9.62 | Compound was evaluated for its ability to inhibit Dopamine receptor D2 in rat st... | 1671415 |
| Dopamine receptor | Ki | = | 4.2 | nM | 8.38 | Compound was evaluated for its ability to inhibit Striatal Dopamine receptor in ... | 1671415 |
| D(1A) dopamine receptor | Ki | = | 617.0 | nM | 6.21 | Compound was evaluated for its ability to inhibit Dopamine receptor D1 in rat st... | 1671415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1671415 | 10.1021/jm00105a005 | Dopamine receptor | 1 |
| 1671415 | 10.1021/jm00105a005 | D(1A) dopamine receptor | 1 |
| 1671415 | 10.1021/jm00105a005 | D(2) dopamine receptor | 1 |
| 1671415 | 10.1021/jm00105a005 | Dopamine D1 and D2 receptor | 1 |
Data from ChEMBL 36 via Core Engine