Compound Detail
CHEMBL3673640
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C[C@H]1NC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)nc3n2[C@H]1C
Basic Information
| ChEMBL ID | CHEMBL3673640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZICFZZGLWKOAR-CVEARBPZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
3.28
ALogP
7
HBA
2
HBD
97.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 29.0 | nM | 7.54 | Kinase Glo Assay: Human RSK2 protein, purchased from Invitrogen, is used to meas... | - |
Data from ChEMBL 36 via Core Engine