Compound Detail
CHEMBL1257264
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Basic Information
| ChEMBL ID | CHEMBL1257264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHGZIKVFWPQXNG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
450.0
MW (Da)
4.72
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.63 | 8.63 | 2.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.03 | 8.03 | 9.3 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.61 | 7.61 | 24.7 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.02 | 7.02 | 96.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.34 | nM | 8.63 | Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillatio... | 20801650 |
| D(2) dopamine receptor | Ki | = | 9.31 | nM | 8.03 | Displacement of [3H]-Spiperone from human dopamine D2L receptor expressed in CHO... | 20801650 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 24.7 | nM | 7.61 | Binding affinity to human 5HT2A receptor | 20801650 |
| Sodium-dependent serotonin transporter | Ki | = | 96.3 | nM | 7.02 | Displacement of [3H]-citalopram from human serotonin transporter expressed in HE... | 20801650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20801650 | 10.1016/j.bmcl.2010.08.023 | D(2) dopamine receptor | 2 |
| 20801650 | 10.1016/j.bmcl.2010.08.023 | Sodium-dependent serotonin transporter | 2 |
| 20801650 | 10.1016/j.bmcl.2010.08.023 | 5-hydroxytryptamine receptor 1A | 1 |
| 20801650 | 10.1016/j.bmcl.2010.08.023 | 5-hydroxytryptamine receptor 2A | 1 |
| 20801650 | 10.1016/j.bmcl.2010.08.023 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine