Compound Detail
CHEMBL3675462
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C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C(C)(C)C)n[nH]2)c1
Basic Information
| ChEMBL ID | CHEMBL3675462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRJJNRIRROSSLD-CQSZACIVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
4.17
ALogP
6
HBA
4
HBD
138.7
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 10.52 | 10.52 | 0.0 | 1 |
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 0.03 | nM | 10.52 | Enzyme Assay: The Aurora assays described here are performed on two Caliper Life... | - |
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 6.3 | nM | 8.2 | Enzyme Assay: P70S6K inhibitor compounds are diluted and plated in 96 well plate... | - |
Data from ChEMBL 36 via Core Engine