Compound Detail
CHEMBL596674
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Basic Information
| ChEMBL ID | CHEMBL596674 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSASWRWALCMOQP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
331.5
MW (Da)
5.32
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
| Protein-glutamine gamma-glutamyltransferase CHEMBL3308976 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4295557 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of JAK3 (unknown origin) by ELISA | 28844493 |
| Replicase polyprotein 1ab | IC50 | = | 580.0 | nM | 6.24 | SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response ... | - |
| Protein-glutamine gamma-glutamyltransferase | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of guinea pig liver transglutaminase | 20053561 |
| Replicase polyprotein 1ab | IC50 | = | 8100.0 | nM | 5.09 | MERS_3CL Pro protease inhibition IC50 by FRET kind of response from peptide sub... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin receptor | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 5/CDK5 activator 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Protein kinase C beta type | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase HCK | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin-like growth factor 1 receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Lck | 4 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase mTOR | 4 |
| 23398362 | 10.1042/bj20121418 | cGMP-dependent protein kinase 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform gamma-3 | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform delta | 2 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin A | 2 |
| 23398362 | 10.1042/bj20121418 | Ephrin type-A receptor 5 | 2 |
| 23398362 | 10.1042/bj20121418 | Fibroblast growth factor receptor 3 | 2 |
| 23398362 | 10.1042/bj20121418 | Fibroblast growth factor receptor 4 | 2 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Fyn | 2 |
| 23398362 | 10.1042/bj20121418 | Aurora kinase A | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase Nek7 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
Data from ChEMBL 36 via Core Engine