Compound Detail
CHEMBL1094100
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Basic Information
| ChEMBL ID | CHEMBL1094100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCPSEEXFXGUUKF-PQPLKPFKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
346.5
MW (Da)
5.57
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.45 | 5.45 | 3590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 3590.0 | nM | 5.45 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 cells afte... | 20363635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20363635 | 10.1016/j.bmc.2010.02.062 | 5-hydroxytryptamine receptor 1A | 4 |
| 20363635 | 10.1016/j.bmc.2010.02.062 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine