Compound Detail
CHEMBL5755946
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Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4CCC#N)n2)n[nH]1
Basic Information
| ChEMBL ID | CHEMBL5755946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGIGBGLODDEBOG-NNZMDNLPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
3.22
ALogP
8
HBA
4
HBD
125.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Ki | 9.26 | 9.26 | 0.6 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Ki | 9.26 | 9.26 | 0.6 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Ki | 9.26 | 9.26 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | Ki | = | 0.55 | nM | 9.26 | Biochemical JAK Assays: A panel of four LanthaScreen JAK biochemical assays (JAK... | - |
| Tyrosine-protein kinase JAK3 | Ki | = | 0.55 | nM | 9.26 | Biochemical JAK Assays: A panel of four LanthaScreen JAK biochemical assays (JAK... | - |
| Non-receptor tyrosine-protein kinase TYK2 | Ki | = | 0.55 | nM | 9.26 | Biochemical JAK Assays: A panel of four LanthaScreen JAK biochemical assays (JAK... | - |
Data from ChEMBL 36 via Core Engine