Compound Detail
CHEMBL218203
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Basic Information
| ChEMBL ID | CHEMBL218203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NORQFMPKBRSFFC-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
422.0
MW (Da)
4.83
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.15 | 9.075 | 0.7 | 2 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.52 | 7.52 | 29.9 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.62 | 6.48 | 238.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.7 | nM | 9.15 | Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO ... | 26723530 |
| D(3) dopamine receptor | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H]spiperone from human dopamine D3 expressed in CHO cell membr... | 17266201 |
| Alpha-1A adrenergic receptor | Ki | = | 29.9 | nM | 7.52 | Displacement of [3H]-prazosin from human ADRA1A receptor | 26723530 |
| D(4) dopamine receptor | Ki | = | 199.53 | nM | 6.7 | Displacement of [3H]spiperone from human dopamine D4.4 expressed in CHO cell mem... | 17266201 |
| D(2) dopamine receptor | Ki | = | 238.0 | nM | 6.62 | Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK... | 26723530 |
| D(2) dopamine receptor | Ki | = | 457.09 | nM | 6.34 | Binding affinity to dopamine D2 | 17266201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26723530 | 10.1016/j.bmcl.2015.12.068 | Unchecked | 2 |
| 17266201 | 10.1021/jm0611152 | Dopamine receptors; D2 & D3 | 1 |
| 17266201 | 10.1021/jm0611152 | Dopamine receptors; D3 & D4 | 1 |
| 17266201 | 10.1021/jm0611152 | D(2) dopamine receptor | 1 |
| 17266201 | 10.1021/jm0611152 | D(3) dopamine receptor | 1 |
| 17266201 | 10.1021/jm0611152 | D(4) dopamine receptor | 1 |
| 26723530 | 10.1016/j.bmcl.2015.12.068 | D(3) dopamine receptor | 1 |
| 26723530 | 10.1016/j.bmcl.2015.12.068 | D(2) dopamine receptor | 1 |
| 26723530 | 10.1016/j.bmcl.2015.12.068 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine