Compound Detail
CHEMBL5776771
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CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(CC)[C@@H](C(=O)N3CC(N(C)C)C3)C4)n[nH]c2c1
Basic Information
| ChEMBL ID | CHEMBL5776771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJTVQALTARBQFE-RUZDIDTESA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
3.55
ALogP
6
HBA
3
HBD
104.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Ki | 10.3 | 10.3 | 0.1 | 3 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Ki | 9.7 | 9.7 | 0.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | Ki | = | 0.05 | nM | 10.3 | Biochemical JAK Kinase Assays: A panel of four LanthaScreen JAK biochemical assa... | - |
| Tyrosine-protein kinase JAK1 | Ki | = | 0.05 | nM | 10.3 | Biochemical Kinase Assay: A panel of four LanthaScreen JAK biochemical assays (J... | - |
| Tyrosine-protein kinase JAK1 | Ki | = | 0.05 | nM | 10.3 | Biochemical JAK Kinase Assay: Assay 1: A panel of four LanthaScreen JAK biochemi... | - |
| Tyrosine-protein kinase JAK3 | Ki | = | 0.2 | nM | 9.7 | Biochemical JAK Kinase Assays: A panel of four LanthaScreen JAK biochemical assa... | - |
| Tyrosine-protein kinase JAK3 | Ki | = | 0.2 | nM | 9.7 | Biochemical Kinase Assay: A panel of four LanthaScreen JAK biochemical assays (J... | - |
| Tyrosine-protein kinase JAK3 | Ki | = | 0.2 | nM | 9.7 | Biochemical JAK Kinase Assay: Assay 1: A panel of four LanthaScreen JAK biochemi... | - |
Data from ChEMBL 36 via Core Engine