Compound Detail
CHEMBL5991656
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
N#CC[C@H]1CC[C@H](n2c(CC(=O)Nc3ccc(C#N)cc3)nc3cnc4[nH]ccc4c32)CC1
Basic Information
| ChEMBL ID | CHEMBL5991656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNIFTQQKTCCJMA-RUCARUNLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
4.61
ALogP
6
HBA
2
HBD
123.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 7.9 | 7.9 | 12.5 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.86 | 7.86 | 13.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 12.5 | nM | 7.9 | Enzymatic Inhibition Assay: 11-point dosing series were made for each compound b... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 13.7 | nM | 7.86 | Enzymatic Inhibition Assay: 11-point dosing series were made for each compound b... | - |
Data from ChEMBL 36 via Core Engine