Compound Detail
CHEMBL1933163
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Basic Information
| ChEMBL ID | CHEMBL1933163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTSGFJSEVNWKKI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
3.24
ALogP
5
HBA
4
HBD
111.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 CHEMBL2208 | EC50 | 8.29 | 8.29 | 5.1 | 1 |
| THP-1 CHEMBL614245 | EC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 | EC50 | = | 5.1 | nM | 8.29 | Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 ... | 22119462 |
| THP-1 | EC50 | = | 3400.0 | nM | 5.47 | Inhibition of LPS-induced TNFalpha production in human THP1 cells pre-incubated ... | 22119462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22119462 | 10.1016/j.bmcl.2011.10.071 | MAP kinase-activated protein kinase 2 | 2 |
| 22119462 | 10.1016/j.bmcl.2011.10.071 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine