Compound Detail
CHEMBL5995310
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Nc1ncc(-c2nnn(CCCO)n2)cc1-c1cc2cc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2s1
Basic Information
| ChEMBL ID | CHEMBL5995310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSVUTNRAXRQFMN-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
622.5
MW (Da)
6.26
ALogP
9
HBA
4
HBD
143.9
PSA (Ų)
0.16
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.18
Ki 1 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interferon-induced, double-stranded RNA-activated protein kinase CHEMBL5785 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
| Interferon-induced, double-stranded RNA-activated protein kinase CHEMBL5785 | Ki | 7.18 | 7.18 | 66.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interferon-induced, double-stranded RNA-activated protein kinase | IC50 | = | 66.0 | nM | 7.18 | KinaseGlo Assay: PKR: Commercially available recombinant human GST-PKR (SignalCh... | - |
| Interferon-induced, double-stranded RNA-activated protein kinase | Ki | = | 66.0 | nM | 7.18 | PDGFRβ Kinase Assay: Biochemical PDGFRβ kinase assays were performed in 96 well ... | - |
Data from ChEMBL 36 via Core Engine