Compound Detail
CHEMBL4865978
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Cc1nonc1C(=O)N[C@H](c1nc2c(F)c([C@H](CC(F)(F)F)c3cnnn3CC(F)(F)F)ccc2[nH]1)C1CCC(F)(F)CC1
Basic Information
| ChEMBL ID | CHEMBL4865978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRUSTKBKRKCQKL-LIRRHRJNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
638.5
MW (Da)
5.93
ALogP
8
HBA
2
HBD
127.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-17A CHEMBL3390822 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-17A | IC50 | = | 2.0 | nM | 8.7 | Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5... | 34917245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34917245 | 10.1021/acsmedchemlett.1c00608 | Interleukin-17A | 1 |
Data from ChEMBL 36 via Core Engine