Compound Detail
CHEMBL1784931
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CN(C)c1cccc2c(S(=O)(=O)NCCCCC34CCCN3C(=O)N(CCCCN3CCN(c5cccc6ccccc56)CC3)C4=O)cccc12
Basic Information
| ChEMBL ID | CHEMBL1784931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNDPSBWXLXUVKK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
711.0
MW (Da)
5.91
ALogP
7
HBA
1
HBD
96.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.7 | 8.06 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.0 | nM | 8.7 | Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in EBNA gene-p... | 24900203 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 38.0 | nM | 7.42 | Binding affinity to human 5HT1A receptor expressed in CHO cells after 10 mins by... | 24900203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900203 | 10.1021/ml100053y | 5-hydroxytryptamine receptor 1A | 3 |
| 24900203 | 10.1021/ml100053y | 5-hydroxytryptamine receptor 2A | 1 |
| 24900203 | 10.1021/ml100053y | 5-hydroxytryptamine receptor 5A | 1 |
| 24900203 | 10.1021/ml100053y | 5-hydroxytryptamine receptor 7 | 1 |
| 24900203 | 10.1021/ml100053y | 5-hydroxytryptamine receptor 4 | 1 |
| 24900203 | 10.1021/ml100053y | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine