Compound Detail
CHEMBL5851647
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Cc1cc(Nc2ncnc3sc(C(=O)N4CC[C@@H](N(C)C)C4)cc23)c(=O)n2c1C(=O)NC21CCCC1
Basic Information
| ChEMBL ID | CHEMBL5851647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDCQKJQVYUUEDH-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
2.65
ALogP
9
HBA
2
HBD
112.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 8.42 | 8.42 | 3.8 | 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 | = | 3.8 | nM | 8.42 | MKNK1 Kinase High ATP Assay: MKNK1-inhibitory activity at high ATP of compounds ... | - |
Data from ChEMBL 36 via Core Engine