Compound Detail
CHEMBL2387709
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Basic Information
| ChEMBL ID | CHEMBL2387709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJXRWQLSUYHSFX-RUZDIDTESA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.6
MW (Da)
3.66
ALogP
4
HBA
1
HBD
35.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.52
Ki 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 7.7 | 7.7 | 20.2 | 1 |
| D(3) dopamine receptor CHEMBL234 | EC50 | 7.52 | 7.52 | 30.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 6.75 | 6.75 | 179.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.22 | 6.22 | 601.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 20.2 | nM | 7.7 | Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in ... | 23623679 |
| D(3) dopamine receptor | EC50 | = | 30.3 | nM | 7.52 | Agonist activity at human dopamine D3 receptor expressed in CHO cells assessed a... | 23623679 |
| D(2) dopamine receptor | EC50 | = | 179.0 | nM | 6.75 | Agonist activity at human dopamine D2L receptor expressed in CHO cells assessed ... | 23623679 |
| D(2) dopamine receptor | Ki | = | 601.0 | nM | 6.22 | Displacement of [3H]spiperone from rat cloned dopamine D2L receptor expressed in... | 23623679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23623679 | 10.1016/j.bmc.2013.03.059 | D(3) dopamine receptor | 3 |
| 23623679 | 10.1016/j.bmc.2013.03.059 | D(2) dopamine receptor | 3 |
| 23623679 | 10.1016/j.bmc.2013.03.059 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine