Compound Detail
CHEMBL597412
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Basic Information
| ChEMBL ID | CHEMBL597412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOTVTVRIMDVXGS-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
369.9
MW (Da)
2.95
ALogP
6
HBA
1
HBD
57.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.77 | 5.765 | 1700.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.1 | 5.1 | 7980.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1700.0 | nM | 5.77 | Displacement of [3H]YM-9151-2 from D2 like receptor in rat striatal membrane | 20363131 |
| Unchecked | Ki | = | 1740.0 | nM | 5.76 | Displacement of [3H]nemonapride from D2-like receptor in Wistar rat striatum hom... | 20153652 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 7980.0 | nM | 5.1 | Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in Wistar rat hippocampus hom... | 20153652 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 8000.0 | nM | 5.1 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane | 20363131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20153652 | 10.1016/j.bmc.2010.01.040 | Unchecked | 2 |
| 20153652 | 10.1016/j.bmc.2010.01.040 | 5-hydroxytryptamine receptor 1A | 1 |
| 20153652 | 10.1016/j.bmc.2010.01.040 | 5-hydroxytryptamine receptor 2A | 1 |
| 20363131 | 10.1016/j.bmcl.2010.03.034 | Unchecked | 1 |
| 20363131 | 10.1016/j.bmcl.2010.03.034 | 5-hydroxytryptamine receptor 1A | 1 |
| 20363131 | 10.1016/j.bmcl.2010.03.034 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine