Compound Detail
CHEMBL4290957
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Basic Information
| ChEMBL ID | CHEMBL4290957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCBQNQKWRAHHIR-GFCCVEGCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
1.30
ALogP
5
HBA
1
HBD
88.9
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 6.1 | 6.1 | 787.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 790.0 | nM | 6.1 | Inhibition of human JAK1 using GEEPLYWSFPAKKK as substrate after 40 mins in pres... | 30108938 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 787.0 | nM | 6.1 | In Vitro JAK Kinase Inhibition Test: Kinases used were human-derived JAK1, JAK2,... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108938 | 10.1039/C7MD00568G | Tyrosine-protein kinase JAK1 | 1 |
Data from ChEMBL 36 via Core Engine