Compound Detail
CHEMBL5871904
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CNC(=O)c1nnc(Nc2cc(NC(=O)C3CC3)nc(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Basic Information
| ChEMBL ID | CHEMBL5871904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNYDZIDSGRNVAM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
529.6
MW (Da)
2.57
ALogP
12
HBA
4
HBD
173.8
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | EC50 | 8.25 | 8.25 | 5.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | EC50 | = | 5.64 | nM | 8.25 | Probe Displacement Assay: The probe displacement assay is conducted as follows: ... | - |
Data from ChEMBL 36 via Core Engine