Compound Detail
CHEMBL6046015
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Cc1cc(Nc2ncnc3sc(C(=O)N4CC(C#N)C4)cc23)c(=O)n2c1C(=O)NC21CCCCC1
Basic Information
| ChEMBL ID | CHEMBL6046015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXRTUTYGJYEEKW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
2.86
ALogP
9
HBA
2
HBD
133.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 5.0 | nM | 8.3 | MKNK1 Kinase High ATP Assay: MKNK1-inhibitory activity at high ATP of compounds ... | - |
Data from ChEMBL 36 via Core Engine