Compound Detail
CHEMBL2011586
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Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)NCCOCCOCCNC(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL2011586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGHBTCQWEPIPBD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
682.9
MW (Da)
3.10
ALogP
10
HBA
2
HBD
115.4
PSA (Ų)
0.20
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Ki | 8.11 | 8.11 | 7.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 7.7 | nM | 8.11 | Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membra... | 24900351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900351 | 10.1021/ml2000388 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine