Compound Detail
CHEMBL165504
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Basic Information
| ChEMBL ID | CHEMBL165504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAMSHZCIGNPBQZ-IRXDYDNUSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
2.46
ALogP
5
HBA
0
HBD
41.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.77 | 8.58 | 1.7 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.42 | 7.3 | 38.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 1.7 | nM | 8.77 | In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]spip... | 9871530 |
| D(4) dopamine receptor | Ki | = | 4.1 | nM | 8.39 | In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]spip... | 9871530 |
| D(2) dopamine receptor | Ki | = | 38.0 | nM | 7.42 | In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H... | 9871530 |
| D(2) dopamine receptor | Ki | = | 66.0 | nM | 7.18 | In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H... | 9871530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871530 | 10.1016/s0960-894x(98)00108-5 | D(2) dopamine receptor | 2 |
| 9871530 | 10.1016/s0960-894x(98)00108-5 | D(4) dopamine receptor | 2 |
| 9871530 | 10.1016/s0960-894x(98)00108-5 | Dopamine receptors; D2 & D4 | 2 |
Data from ChEMBL 36 via Core Engine