Compound Detail
CHEMBL4111985
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C[C@H]1NC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n2[C@H]1C
Basic Information
| ChEMBL ID | CHEMBL4111985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQXDKRZFXZPPQO-SJORKVTESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
3.89
ALogP
6
HBA
2
HBD
84.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-2 CHEMBL3906 | IC50 | 8.68 | 8.27 | 2.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-2 | IC50 | = | 2.1 | nM | 8.68 | Kinase Glo Plus Assay: Human RSK2 protein, purchased from Invitrogen, is used to... | - |
| Ribosomal protein S6 kinase alpha-2 | IC50 | = | 13.7 | nM | 7.86 | Kinase Glo Plus Assay: Human RSK2 protein, purchased from Invitrogen, is used to... | - |
Data from ChEMBL 36 via Core Engine