Compound Detail
CHEMBL3986649
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CN(C)C(=O)[C@]1(Cc2cccc(Nc3cc[nH]n3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1
Basic Information
| ChEMBL ID | CHEMBL3986649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEBVYMGFQXBZPW-WVQHILGCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
472.0
MW (Da)
4.98
ALogP
5
HBA
2
HBD
83.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 1.3 | nM | 8.89 | Inhibition of human N-terminal His-tagged Aurora A expressed in Escherichia coli... | - |
Data from ChEMBL 36 via Core Engine