Compound Detail
CHEMBL5847013
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CC(C)NC(=O)c1ccc(N2CC(CC#N)(n3cc(-c4ccnc5[nH]ccc45)cn3)C2)cc1
Basic Information
| ChEMBL ID | CHEMBL5847013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLQRZQUNUAGWJJ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
3.69
ALogP
6
HBA
2
HBD
102.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.6 | 7.6 | 25.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 25.0 | nM | 7.6 | In Vitro Assay: Compounds herein were tested for inhibitory activity of JAK targ... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 25.0 | nM | 7.6 | In Vitro JAK Kinase Assay: Compounds herein were tested for inhibitory activity ... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 25.0 | nM | 7.6 | In Vitro JAK Kinase Assay: The catalytic domains of human JAK1 (a.a. 837-1142), ... | - |
Data from ChEMBL 36 via Core Engine