Compound Detail
CHEMBL5868177
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CNc1cc(-c2cn(CCCO)c3ncc(F)cc23)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
Basic Information
| ChEMBL ID | CHEMBL5868177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZCQTVWEORMTPO-HKUYNNGSSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
2.22
ALogP
9
HBA
3
HBD
118.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Kd | 9.22 | 9.22 | 0.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | Kd | = | 0.6 | nM | 9.22 | TYK2 JH2 Domain Binding Assay: Binding constants for compounds of the present in... | - |
| Non-receptor tyrosine-protein kinase TYK2 | Kd | = | 0.6 | nM | 9.22 | TYK2 JH2 Domain Binding Assay: Binding constants for compounds against the JH2 d... | - |
| Non-receptor tyrosine-protein kinase TYK2 | Kd | = | 0.6 | nM | 9.22 | TYK2 JH2 Domain Binding Assay: Binding constants for compounds of the present in... | - |
Data from ChEMBL 36 via Core Engine