Compound Detail
CHEMBL1774065
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Basic Information
| ChEMBL ID | CHEMBL1774065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXCOCXDWNZNCFL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
447.4
MW (Da)
4.21
ALogP
5
HBA
1
HBD
61.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.54 | 8.54 | 2.9 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.39 | 7.39 | 40.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 2.0 | nM | 8.7 | Displacement of [3H]Spiperone from human dopamine D2L receptor expressed in CHO ... | 21353774 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2.9 | nM | 8.54 | Binding affinity to human 5HT2A receptor | 21353774 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 40.7 | nM | 7.39 | Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells | 21353774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353774 | 10.1016/j.bmcl.2011.01.059 | D(2) dopamine receptor | 2 |
| 21353774 | 10.1016/j.bmcl.2011.01.059 | 5-hydroxytryptamine receptor 2A | 1 |
| 21353774 | 10.1016/j.bmcl.2011.01.059 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine