Compound Detail
CHEMBL5765520
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
COc1nn(C)cc1Nc1ncc(C)c(-c2c[nH]c3c(NC(=O)[C@@H](C)N4CCN(C)C[C@@H]4C)cccc23)n1
Basic Information
| ChEMBL ID | CHEMBL5765520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSYQGSAZPSHEQG-ZWKOTPCHSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
517.6
MW (Da)
3.38
ALogP
9
HBA
3
HBD
116.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 6.53 | 6.53 | 296.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 296.0 | nM | 6.53 | JAK Enzymatic Assay: Enzyme inhibition studies were performed using recombinant ... | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 296.0 | nM | 6.53 | Enzyme Inhibition Studies: Enzyme inhibition studies were performed using recomb... | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 296.0 | nM | 6.53 | Enzyme Inhibition Assay: Enzyme inhibition studies were performed using recombin... | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 296.0 | nM | 6.53 | Enzyme Inhibition Assay: Enzyme inhibition studies were performed using recombin... | - |
Data from ChEMBL 36 via Core Engine