Compound Detail
CHEMBL5598235
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Cc1c(C(=O)NS(=O)(=O)C2CC2)cc(-c2ccc(Cl)c(Oc3ccccn3)c2)c2cc[nH]c12
Basic Information
| ChEMBL ID | CHEMBL5598235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AORICYPGAMGKBS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
482.0
MW (Da)
5.21
ALogP
5
HBA
2
HBD
101.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A/Targeting protein for Xklp2 CHEMBL3883304 | Kd | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A/Targeting protein for Xklp2 | Kd | = | 18.0 | nM | 7.75 | Inhibition of 6-His-tagged human Aurora A (126 to 390 residues) expressed in Esc... | 39190548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39190548 | 10.1021/acs.jmedchem.4c01165 | Aurora kinase A/Targeting protein for Xklp2 | 1 |
Data from ChEMBL 36 via Core Engine