Compound Detail
CHEMBL4868619
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CCS(=O)(=O)c1ccc([C@@H](NC(C)=O)C(=O)Nc2cc(-c3cc(C#N)cc(F)c3OC)cs2)cc1
Basic Information
| ChEMBL ID | CHEMBL4868619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOJMBDUWFJVSKK-JOCHJYFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
4.04
ALogP
7
HBA
2
HBD
125.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 57.0 | nM | 7.24 | Suppression of IL-17A production in human Th17 cells incubated for 4 days by IL-... | 34464130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34464130 | 10.1021/acs.jmedchem.1c01197 | Unchecked | 1 |
| 34464130 | 10.1021/acs.jmedchem.1c01197 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine