Compound Detail
CHEMBL5956921
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CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(c2ccsc2C#N)C3=O)cc1
Basic Information
| ChEMBL ID | CHEMBL5956921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXYGRTULZFQJSE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
500.0
MW (Da)
5.17
ALogP
6
HBA
1
HBD
107.3
PSA (Ų)
0.50
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 9 CHEMBL5815 | Ki | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 9 | Ki | = | 3.0 | nM | 8.52 | FLIPR Assay: A calcium flux assay was used to determine the ability of the compo... | - |
Data from ChEMBL 36 via Core Engine