Compound Detail
CHEMBL3939867
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
CS(=O)(=O)N1CCC(N2CC(CC#N)(n3cc(-c4c(C#N)cnc5[nH]ccc45)cn3)C2)CC1
Basic Information
| ChEMBL ID | CHEMBL3939867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNAQUTDWXVJFOU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
1.65
ALogP
8
HBA
1
HBD
134.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.9 | 7.71 | 12.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 12.5 | nM | 7.9 | In Vitro JAK Kinase Assay: Compounds herein were tested for inhibitory activity ... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 30.0 | nM | 7.52 | In vitro JAK Kinase Assay: The catalytic domains of human JAK1 (a.a. 837-1142), ... | - |
Data from ChEMBL 36 via Core Engine