Compound Detail
CHEMBL5820686
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CC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CC(C)(C(C)(C)O)C3)ccn1
Basic Information
| ChEMBL ID | CHEMBL5820686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZWLQMHGWPONOP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
4.68
ALogP
5
HBA
4
HBD
107.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitotic checkpoint serine/threonine-protein kinase BUB1 CHEMBL1772932 | IC50 | 8.0 | 8.0 | 10.0 | 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 | = | 10.0 | nM | 8.0 | Bub1 kinase assay: Bub1-inhibitory activities of compounds described in the pres... | - |
Data from ChEMBL 36 via Core Engine