Compound Detail
CHEMBL4283965
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Basic Information
| ChEMBL ID | CHEMBL4283965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQBFYPGGEFCITG-LBPRGKRZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
1.21
ALogP
5
HBA
1
HBD
82.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 8.14 | 8.14 | 7.2 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 7.2 | nM | 8.14 | Inhibition of human JAK1 using GEEPLYWSFPAKKK as substrate after 40 mins in pres... | 30108938 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of human JAK2 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substr... | 30108938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108938 | 10.1039/C7MD00568G | ADMET | 13 |
| 30108938 | 10.1039/C7MD00568G | Tyrosine-protein kinase JAK1 | 1 |
| 30108938 | 10.1039/C7MD00568G | Tyrosine-protein kinase JAK2 | 1 |
| 30108938 | 10.1039/C7MD00568G | Unchecked | 1 |
| 30108938 | 10.1039/C7MD00568G | No relevant target | 1 |
| 30108938 | 10.1039/C7MD00568G | Cytochrome P450 1A2 | 1 |
| 30108938 | 10.1039/C7MD00568G | Cytochrome P450 2A6 | 1 |
| 30108938 | 10.1039/C7MD00568G | Cytochrome P450 2B6 | 1 |
| 30108938 | 10.1039/C7MD00568G | Cytochrome P450 2C8 | 1 |
| 30108938 | 10.1039/C7MD00568G | Cytochrome P450 2C9 | 1 |
| 30108938 | 10.1039/C7MD00568G | Cytochrome P450 2C19 | 1 |
| 30108938 | 10.1039/C7MD00568G | Cytochrome P450 2D6 | 1 |
| 30108938 | 10.1039/C7MD00568G | Cytochrome P450 2E1 | 1 |
| 30108938 | 10.1039/C7MD00568G | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine