Compound Detail
CHEMBL592031
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Nc1ncc2c(n1)c(-c1cc(-c3cc4ccccc4s3)c3[nH]ncc3c1)cn2CCC1CCNCC1
Basic Information
| ChEMBL ID | CHEMBL592031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USFSEVLTPLUQBS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
5.83
ALogP
7
HBA
3
HBD
97.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 CHEMBL2208 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 | IC50 | = | 960.0 | nM | 6.02 | Inhibition of MK2 | 19926477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19926477 | 10.1016/j.bmcl.2009.10.103 | MAP kinase-activated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine