Compound Detail
CHEMBL6000872
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Basic Information
| ChEMBL ID | CHEMBL6000872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWMQXOZMOZLQFY-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
2.78
ALogP
6
HBA
3
HBD
104.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 9.15 | 9.01 | 0.7 | 3 |
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 | = | 0.7 | nM | 9.15 | MKNK1 Kinase High ATP Assay: MKNK1-inhibitory activity at high ATP of compounds ... | - |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 1.1 | nM | 8.96 | MKNK1 Kinase High ATP Assay: MKNK1-inhibitory activity at high ATP of compounds ... | - |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 1.2 | nM | 8.92 | MKNK1 Kinase High ATP Assay: MKNK1-inhibitory activity at high ATP of compounds ... | - |
Data from ChEMBL 36 via Core Engine