Compound Detail
CHEMBL5784224
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Basic Information
| ChEMBL ID | CHEMBL5784224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROANNSYULQYJLV-YHWZYXNKSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
3.17
ALogP
6
HBA
2
HBD
86.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | EC50 | 6.29 | 6.29 | 508.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | EC50 | 5.96 | 5.96 | 1110.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | EC50 | 5.58 | 5.58 | 2640.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | EC50 | 5.54 | 5.54 | 2870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | EC50 | = | 508.0 | nM | 6.29 | Kinase Assay: Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin... | - |
| Non-receptor tyrosine-protein kinase TYK2 | EC50 | = | 1110.0 | nM | 5.96 | Kinase Assay: Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin... | - |
| Tyrosine-protein kinase JAK2 | EC50 | = | 2640.0 | nM | 5.58 | Kinase Assay: Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin... | - |
| Tyrosine-protein kinase JAK3 | EC50 | = | 2870.0 | nM | 5.54 | Kinase Assay: Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin... | - |
Data from ChEMBL 36 via Core Engine