Compound Detail
CHEMBL294394
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Basic Information
| ChEMBL ID | CHEMBL294394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCDSVYQQSBWIRG-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
2.34
ALogP
2
HBA
1
HBD
22.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.24 | 6.24 | 570.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.52 | 5.515 | 3000.0 | 2 |
| D(1A) dopamine receptor CHEMBL2967 | Ki | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 100.0 | nM | 7.0 | Ability to displace [3H]spiperone radioligand from cloned human Dopamine recepto... | 12113813 |
| D(3) dopamine receptor | Ki | = | 570.0 | nM | 6.24 | Ability to displace [3H]spiperone radioligand from cloned human Dopamine recepto... | 12113813 |
| D(2) dopamine receptor | Ki | = | 3000.0 | nM | 5.52 | Ability to displace [3H]spiperone radioligand from cloned human Dopamine recepto... | 12113813 |
| D(2) dopamine receptor | Ki | = | 3100.0 | nM | 5.51 | Ability to displace [3H]SCH-23390 radioligand from cloned human Dopamine recepto... | 12113813 |
| D(1A) dopamine receptor | Ki | = | 5400.0 | nM | 5.27 | Ability to displace [3H]SCH-23,390 radioligand from bovine Dopamine receptor D1 | 12113813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12113813 | 10.1016/s0960-894x(02)00316-5 | D(2) dopamine receptor | 2 |
| 12113813 | 10.1016/s0960-894x(02)00316-5 | D(1A) dopamine receptor | 1 |
| 12113813 | 10.1016/s0960-894x(02)00316-5 | D(3) dopamine receptor | 1 |
| 12113813 | 10.1016/s0960-894x(02)00316-5 | D(4) dopamine receptor | 1 |
| 12113813 | 10.1016/s0960-894x(02)00316-5 | 5-hydroxytryptamine receptor 1A | 1 |
| 12113813 | 10.1016/s0960-894x(02)00316-5 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine