Compound Detail
CHEMBL1614995
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Basic Information
| ChEMBL ID | CHEMBL1614995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYTDQGRQFPNBGA-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
3.09
ALogP
5
HBA
2
HBD
89.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 CHEMBL2208 | IC50 | 8.0 | 6.975 | 10.0 | 4 |
| PBMC CHEMBL613107 | IC50 | 6.58 | 6.55 | 260.0 | 2 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 6.19 | 6.19 | 649.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after... | 20591669 |
| MAP kinase-activated protein kinase 2 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as s... | 20594847 |
| PBMC | IC50 | = | 260.0 | nM | 6.58 | Antiinflammatory activity against LPS-induced TNFalpha release in human PBMC pre... | 20594847 |
| PBMC | IC50 | = | 300.0 | nM | 6.52 | Inhibition of LPS-induced TNFalpha production in human PBMC preincubated for 30 ... | 20591669 |
| Mitogen-activated protein kinase 9 | IC50 | = | 649.0 | nM | 6.19 | Inhibition of JNK2 | 20594847 |
| MAP kinase-activated protein kinase 2 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of MK2 in human THP-1 cells assessed as inhibition of anisomycin stim... | 20594847 |
| MAP kinase-activated protein kinase 2 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of MK2 mediated anisomycin-stimulated hsp27 phosphorylation in human ... | 20591669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20591669 | 10.1016/j.bmcl.2010.04.023 | MAP kinase-activated protein kinase 2 | 2 |
| 20594847 | 10.1016/j.bmcl.2010.04.024 | MAP kinase-activated protein kinase 2 | 2 |
| 20591669 | 10.1016/j.bmcl.2010.04.023 | PBMC | 1 |
| 20591669 | 10.1016/j.bmcl.2010.04.023 | No relevant target | 1 |
| 20594847 | 10.1016/j.bmcl.2010.04.024 | PBMC | 1 |
| 20594847 | 10.1016/j.bmcl.2010.04.024 | Mitogen-activated protein kinase 9 | 1 |
| 20594847 | 10.1016/j.bmcl.2010.04.024 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine