Compound Detail
CHEMBL5841114
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Basic Information
| ChEMBL ID | CHEMBL5841114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZRAYKVNVBNRIG-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
3.02
ALogP
5
HBA
3
HBD
98.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitotic checkpoint serine/threonine-protein kinase BUB1 CHEMBL1772932 | IC50 | 8.15 | 7.9533 | 7.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitotic checkpoint serine/threonine-protein kinase BUB1 | IC50 | = | 7.0 | nM | 8.15 | Bub1 kinase assay: Bub1-inhibitory activities of compounds described in the pres... | - |
| Mitotic checkpoint serine/threonine-protein kinase BUB1 | IC50 | = | 9.0 | nM | 8.05 | Bub1 kinase assay: Bub1-inhibitory activities of compounds described in the pres... | - |
| Mitotic checkpoint serine/threonine-protein kinase BUB1 | IC50 | = | 22.0 | nM | 7.66 | Bub1 kinase assay: Bub1-inhibitory activities of compounds described in the pres... | - |
Data from ChEMBL 36 via Core Engine