Compound Detail
CHEMBL5813467
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CCc1cc(O)ccc1-c1ccc2c(-c3nc4c([nH]3)CN(C(C)C)[C@H](C(=O)N3CC(C)(N(C)C)C3)C4)n[nH]c2c1
Basic Information
| ChEMBL ID | CHEMBL5813467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAVVKRQBEAWLIE-MHZLTWQESA-N |
4
Targets
12
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
541.7
MW (Da)
4.19
ALogP
6
HBA
3
HBD
104.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 11 meas. best 10.8
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 10.8 | 10.8 | 0.0 | 3 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Ki | 10.0 | 10.0 | 0.1 | 3 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Ki | 9.9 | 9.9 | 0.1 | 3 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Ki | 9.1 | 9.1 | 0.8 | 2 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine