Compound Detail
CHEMBL484598
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Basic Information
| ChEMBL ID | CHEMBL484598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTCVLHZRRJVLPD-HZPDHXFCSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
2.03
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.85
Ki 2 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | EC50 | 8.85 | 8.85 | 1.4 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 8.38 | 8.38 | 4.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 6.57 | 6.57 | 269.1 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.08 | 6.08 | 831.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | EC50 | = | 1.413 | nM | 8.85 | Activation of human dopamine D3 receptor expressed in CHO cells assessed as [35S... | 19324548 |
| D(3) dopamine receptor | Ki | = | 4.169 | nM | 8.38 | Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed i... | 19324548 |
| D(2) dopamine receptor | EC50 | = | 269.15 | nM | 6.57 | Activation of human dopamine D2 receptor expressed in CHO cells assessed as [35S... | 19324548 |
| D(2) dopamine receptor | Ki | = | 831.76 | nM | 6.08 | Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed ... | 19324548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19324548 | 10.1016/j.bmcl.2009.03.015 | D(3) dopamine receptor | 3 |
| 19324548 | 10.1016/j.bmcl.2009.03.015 | D(2) dopamine receptor | 3 |
| 19324548 | 10.1016/j.bmcl.2009.03.015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine