Compound Detail
CHEMBL3693618
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Basic Information
| ChEMBL ID | CHEMBL3693618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTVUGOFZWQHQBI-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.61
ALogP
5
HBA
1
HBD
88.9
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.75 | 6.75 | 180.0 | 2 |
| T-cell CHEMBL614309 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 180.0 | nM | 6.75 | Inhibition Assay: In the kinase reactions, fused proteins (6His tag-fused hJAK3 ... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected... | 32511913 |
| T-cell | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of IL2-induced human T cell proliferation preincubated for 30 mins fo... | 32511913 |
| Unchecked | IC50 | = | 3400.0 | nM | 5.47 | Cytotoxicity against human NHLF cells incubated for 3 days by [3H]thymidine inco... | 32511913 |
| Tyrosine-protein kinase Lck | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of N-terminal His6-tagged recombinant full-length human Lck using TK-... | 32511913 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32511913 | 10.1021/acs.jmedchem.0c00450 | Tyrosine-protein kinase JAK3 | 1 |
| 32511913 | 10.1021/acs.jmedchem.0c00450 | Tyrosine-protein kinase Lck | 1 |
| 32511913 | 10.1021/acs.jmedchem.0c00450 | T-cell | 1 |
| 32511913 | 10.1021/acs.jmedchem.0c00450 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine