Compound Detail
CHEMBL5743603
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COCCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1
Basic Information
| ChEMBL ID | CHEMBL5743603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMEOOGRKZQQMAP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
561.7
MW (Da)
5.73
ALogP
8
HBA
3
HBD
123.1
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 13 CHEMBL2939 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.86 | 6.86 | 139.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 13 | IC50 | = | 8.0 | nM | 8.1 | MAPK13 and MAPK14 enzyme assays: ach of these analogs were checked for physical ... | - |
| Mitogen-activated protein kinase 14 | IC50 | = | 139.0 | nM | 6.86 | MAPK13 and MAPK14 enzyme assays: ach of these analogs were checked for physical ... | - |
| Mitogen-activated protein kinase 14 | IC50 | = | 139.0 | nM | 6.86 | MAPK13 and MAPK14 enzyme assays: ach of these analogs were checked for physical ... | - |
Data from ChEMBL 36 via Core Engine