Compound Detail
CHEMBL287198
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Basic Information
| ChEMBL ID | CHEMBL287198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAZKAAYRLZXGBT-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
537.3
MW (Da)
5.47
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.45
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.1
EC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.1 | 8.1 | 8.0 | 2 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.19 | 7.19 | 65.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 8.0 | nM | 8.1 | Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone disp... | - |
| D(3) dopamine receptor | Ki | = | 8.0 | nM | 8.1 | Binding affinity at dopamine receptor D3 on Sf9 cells by [125I]IABN displacement... | 14684327 |
| D(3) dopamine receptor | Ki | = | 8.0 | nM | 8.1 | Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 ce... | 23618707 |
| D(3) dopamine receptor | EC50 | = | 13.0 | nM | 7.89 | Stimulation of mitogenesis in Dopamine receptor D3 transfected CHO p-5 cells | - |
| D(4) dopamine receptor | Ki | = | 65.0 | nM | 7.19 | Affinity against D4 receptor was evaluated | 9873609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00231-4 | D(3) dopamine receptor | 3 |
| - | 10.1016/0960-894X(96)00231-4 | D(2) dopamine receptor | 1 |
| 14684327 | 10.1016/j.bmcl.2003.09.083 | D(2) dopamine receptor | 1 |
| 14684327 | 10.1016/j.bmcl.2003.09.083 | D(3) dopamine receptor | 1 |
| 14684327 | 10.1016/j.bmcl.2003.09.083 | Dopamine receptor D2 and D3 | 1 |
| 9873609 | 10.1016/s0960-894x(98)00469-7 | D(4) dopamine receptor | 1 |
| 23618707 | 10.1016/j.bmc.2013.03.074 | Unchecked | 1 |
| 23618707 | 10.1016/j.bmc.2013.03.074 | D(3) dopamine receptor | 1 |
| 23618707 | 10.1016/j.bmc.2013.03.074 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine