Compound Detail
CHEMBL5413283
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Basic Information
| ChEMBL ID | CHEMBL5413283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUDFOFBHPJHVPB-HOCLYGCPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
2.65
ALogP
6
HBA
3
HBD
109.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 9.24 | 9.24 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 0.577 | nM | 9.24 | Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate inc... | 38031930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38031930 | 10.1021/acs.jmedchem.3c01712 | ADMET | 6 |
| 38031930 | 10.1021/acs.jmedchem.3c01712 | BaF3 | 4 |
| 38031930 | 10.1021/acs.jmedchem.3c01712 | Unchecked | 3 |
| 38031930 | 10.1021/acs.jmedchem.3c01712 | Tyrosine-protein kinase JAK1 | 1 |
| 38031930 | 10.1021/acs.jmedchem.3c01712 | Cytochrome P450 3A4 | 1 |
| 38031930 | 10.1021/acs.jmedchem.3c01712 | Cytochrome P450 2D6 | 1 |
| 38031930 | 10.1021/acs.jmedchem.3c01712 | Cytochrome P450 2C9 | 1 |
| 38031930 | 10.1021/acs.jmedchem.3c01712 | Cytochrome P450 2C19 | 1 |
| 38031930 | 10.1021/acs.jmedchem.3c01712 | Cytochrome P450 1A2 | 1 |
Data from ChEMBL 36 via Core Engine