Compound Detail
CHEMBL5768497
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CC(=O)NC1=C(Nc2ccccc2)C(=O)C(c2cc3c([nH]2)CCCC3)C(CSC(C)C)=N1
Basic Information
| ChEMBL ID | CHEMBL5768497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNONCRBGQXWJQI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
4.56
ALogP
5
HBA
3
HBD
86.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitotic checkpoint serine/threonine-protein kinase BUB1 CHEMBL1772932 | IC50 | 8.1 | 8.1 | 8.0 | 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 | = | 8.0 | nM | 8.1 | Bub1 kinase assay: Bub1-inhibitory activities of compounds described in the pres... | - |
Data from ChEMBL 36 via Core Engine