Compound Detail
CHEMBL95504
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Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN[C@H](C(C)C)C4)c3c2)sc2ccc(Cl)cc12
Basic Information
| ChEMBL ID | CHEMBL95504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHKULDQPRKBNKV-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
515.1
MW (Da)
5.65
ALogP
6
HBA
2
HBD
74.3
PSA (Ų)
0.36
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 19.95 | nM | 7.7 | Binding affinity against human 5-hydroxytryptamine 6 receptor | 11597412 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11597412 | 10.1016/s0960-894x(01)00558-3 | 5-hydroxytryptamine receptor 6 | 1 |
| 11597412 | 10.1016/s0960-894x(01)00558-3 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine