Compound Detail
CHEMBL3971101
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
CC(C)(C)C(=O)Nc1ncccc1CN1CCC(N2CC(CC#N)(n3cc(-c4ncnc5[nH]ccc45)cn3)C2)CC1
Basic Information
| ChEMBL ID | CHEMBL3971101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLPFOUMYJHCJLQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
552.7
MW (Da)
3.79
ALogP
9
HBA
2
HBD
131.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
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 | 7.9 | 12.5 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
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 JAK1 | IC50 | = | 30.0 | nM | 7.52 | In Vitro JAK Kinase Assay: Compounds herein were tested for inhibitory activity ... | - |
Data from ChEMBL 36 via Core Engine