Compound Detail
CHEMBL515342
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Basic Information
| ChEMBL ID | CHEMBL515342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHDFATFMTYOPPY-OAQYLSRUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
5.70
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.96 | 6.96 | 109.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]8OH-DPAT from human dopamine D1 receptor expressed in HEK293... | 18783955 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 109.0 | nM | 6.96 | Displacement of [3H]Spiperone from human 5HT2A receptor expressed in HEK293 cell... | 18783955 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18783955 | 10.1016/j.bmc.2008.08.056 | 5-hydroxytryptamine receptor 1A | 1 |
| 18783955 | 10.1016/j.bmc.2008.08.056 | 5-hydroxytryptamine receptor 2A | 1 |
| 18783955 | 10.1016/j.bmc.2008.08.056 | D(1A) dopamine receptor | 1 |
| 18783955 | 10.1016/j.bmc.2008.08.056 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine