Compound Detail
CHEMBL5891622
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CN(CCO)C(=O)C1CC(=O)c2c([nH]c(-c3ccnc(NC(=O)c4ccc(F)cc4)c3)c2Nc2ccccc2)C1
Basic Information
| ChEMBL ID | CHEMBL5891622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLPIKPZATGMKNZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
541.6
MW (Da)
4.41
ALogP
6
HBA
4
HBD
127.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
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