Compound Detail
CHEMBL5823098
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
CCOc1cc(F)c(Cn2nc(-c3ncc(OCCO)c(Nc4ccncc4)n3)c3ccccc32)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL5823098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRBUEAPRYNAYDN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
518.5
MW (Da)
4.73
ALogP
9
HBA
2
HBD
107.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitotic checkpoint serine/threonine-protein kinase BUB1 CHEMBL1772932 | IC50 | 8.48 | 8.36 | 3.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitotic checkpoint serine/threonine-protein kinase BUB1 | IC50 | = | 3.3 | nM | 8.48 | Bub1 Kinase Assay: Bub1-inhibitory activities of compounds described in the pres... | - |
| Mitotic checkpoint serine/threonine-protein kinase BUB1 | IC50 | = | 5.7 | nM | 8.24 | Bub1 Kinase Assay: Bub1-inhibitory activities of compounds described in the pres... | - |
Data from ChEMBL 36 via Core Engine