Compound Detail
CHEMBL545188
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Basic Information
| ChEMBL ID | CHEMBL545188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBGKRLIXQFIXKV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1193730 |
| Active Moiety | CHEMBL1193730 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
223.4
MW (Da)
3.93
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL3998 | Ki | 8.3 | 5.9567 | 5.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 5.0 | nM | 8.3 | Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine... | 12502370 |
| D(2) dopamine receptor | Ki | = | 10000.0 | nM | 5.0 | Affinity for Dopamine receptor D2 using [3H]-YM-09151-2 was carried out on bovin... | 12502370 |
| D(2) dopamine receptor | Ki | = | 27000.0 | nM | 4.57 | Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine... | 12502370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502370 | 10.1021/jm021019a | D(2) dopamine receptor | 3 |
| 12502370 | 10.1021/jm021019a | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine