Compound Detail
CHEMBL5091603
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COC[C@H](C(=O)NCC(F)(F)F)c1ccc2[nH]c([C@@H](NC(=O)c3nonc3C3CC3)C3CCC(F)(F)CC3)nc2c1F
Basic Information
| ChEMBL ID | CHEMBL5091603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJQOJBLTLRWCIE-KXBFYZLASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
602.5
MW (Da)
4.67
ALogP
7
HBA
3
HBD
135.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-17A CHEMBL3390822 | IC50 | 8.9 | 8.9 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-17A | IC50 | = | 1.259 | nM | 8.9 | Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5... | 35178169 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35178169 | 10.1021/acsmedchemlett.2c00018 | Interleukin-17A | 1 |
Data from ChEMBL 36 via Core Engine