Compound Detail
CHEMBL508399
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Basic Information
| ChEMBL ID | CHEMBL508399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRBGFUMWOKMSLK-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.40
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.43
Kd 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 8.43 | 8.43 | 3.7 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL2490 | Kd | 8.4 | 8.4 | 4.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.11 | 7.11 | 77.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 3.715 | nM | 8.43 | Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor | 18534847 |
| 5-hydroxytryptamine receptor 2A | Kd | = | 3.981 | nM | 8.4 | Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induce... | 18534847 |
| D(2) dopamine receptor | Ki | = | 77.62 | nM | 7.11 | Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor | 18534847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18534847 | 10.1016/j.bmcl.2008.04.081 | D(1A) dopamine receptor | 1 |
| 18534847 | 10.1016/j.bmcl.2008.04.081 | D(2) dopamine receptor | 1 |
| 18534847 | 10.1016/j.bmcl.2008.04.081 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine