Compound Detail
CHEMBL154580
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Basic Information
| ChEMBL ID | CHEMBL154580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOTCGZPFSUWZBN-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
182.2
MW (Da)
3.21
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.91 | 5.91 | 1240.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 4.7 | 4.7 | 19952.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 1240.0 | nM | 5.91 | SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response ... | - |
| Epidermal growth factor receptor | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Epidermal growth factor receptor | 10741557 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 19952.62 | nM | 4.7 | Inhibition of Janus kinase 1 | 10741557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18157122 | 10.1038/nchembio.2007.59 | Unchecked | 39 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 10741557 | 10.1016/s0960-894x(00)00051-2 | Tyrosine-protein kinase JAK3 | 1 |
| 10741557 | 10.1016/s0960-894x(00)00051-2 | Epidermal growth factor receptor | 1 |
| 10741557 | 10.1016/s0960-894x(00)00051-2 | Tyrosine-protein kinase JAK1 | 1 |
| 10741557 | 10.1016/s0960-894x(00)00051-2 | Tyrosine-protein kinase Lck | 1 |
| 10741557 | 10.1016/s0960-894x(00)00051-2 | Cyclin-dependent kinase 4 | 1 |
| 17149860 | 10.1021/jm060118b | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine