Compound Detail
CHEMBL6062775
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CCOc1cc(F)c(Cn2nc(-c3ncc(OCC4(CO)COC4)c(Nc4ccncc4)n3)c3ccccc32)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL6062775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPGOUYSZXLYWJE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
574.6
MW (Da)
4.74
ALogP
10
HBA
2
HBD
116.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitotic checkpoint serine/threonine-protein kinase BUB1 CHEMBL1772932 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitotic checkpoint serine/threonine-protein kinase BUB1 | IC50 | = | 2.4 | nM | 8.62 | Bub1 Kinase Assay: Bub1-inhibitory activities of compounds described in the pres... | - |
Data from ChEMBL 36 via Core Engine