Compound Detail
CHEMBL5756335
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
CCOP(=O)(Cc1ccc(NC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)cc1)OCC
Basic Information
| ChEMBL ID | CHEMBL5756335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVYKUFHHYSLZOB-JKIUYZKVSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
562.6
MW (Da)
6.50
ALogP
8
HBA
2
HBD
134.9
PSA (Ų)
0.20
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.48 | 7.48 | 32.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 0.6 | nM | 9.22 | Enzymatic Inhibition Assay: 11-point dosing series were made for each compound b... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 3.8 | nM | 8.42 | Enzymatic Inhibition Assay: 11-point dosing series were made for each compound b... | - |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 7.1 | nM | 8.15 | Enzymatic Inhibition Assay: 11-point dosing series were made for each compound b... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 32.9 | nM | 7.48 | Enzymatic Inhibition Assay: 11-point dosing series were made for each compound b... | - |
Data from ChEMBL 36 via Core Engine