Compound Detail
CHEMBL1784935
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COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCCCNCCCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)C2=O)CC1
Basic Information
| ChEMBL ID | CHEMBL1784935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULTXEZOVYZCVSW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
776.1
MW (Da)
5.52
ALogP
9
HBA
2
HBD
117.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 9.0 | nM | 8.05 | Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in EBNA gene-p... | 24900203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900203 | 10.1021/ml100053y | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine