Compound Detail
CHEMBL5882408
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5882408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMSKDBWHCDMVES-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
3.74
ALogP
5
HBA
2
HBD
84.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitotic checkpoint serine/threonine-protein kinase BUB1 CHEMBL1772932 | IC50 | 8.52 | 8.0233 | 3.0 | 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 | = | 3.0 | nM | 8.52 | Bub1 kinase assay: Bub1-inhibitory activities of compounds described in the pres... | - |
| Mitotic checkpoint serine/threonine-protein kinase BUB1 | IC50 | = | 10.0 | nM | 8.0 | Bub1 kinase assay: Bub1-inhibitory activities of compounds described in the pres... | - |
| Mitotic checkpoint serine/threonine-protein kinase BUB1 | IC50 | = | 28.0 | nM | 7.55 | Bub1 kinase assay: Bub1-inhibitory activities of compounds described in the pres... | - |
Data from ChEMBL 36 via Core Engine