Compound Detail
CHEMBL6048134
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
C=CC(=O)N1C[C@H](N(C)c2nc(Nc3cnn(CC)c3)nc3[nH]ccc23)CC[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL6048134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTUWJCHSFIFRQN-GOEBONIOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
2.92
ALogP
7
HBA
2
HBD
95.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 2.4 | nM | 8.62 | Measurement of Inhibitory Activity Against JAK3 and BTK Enzymes: JAK3 and BTK ki... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 3.3 | nM | 8.48 | Measurement of Inhibitory Activity Against JAK3 and BTK Enzymes: JAK3 and BTK ki... | - |
Data from ChEMBL 36 via Core Engine