Compound Detail
CHEMBL5796741
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Cc1ncccc1-c1ccc(NCCN2CCCC2)c(C2CCN(c3ncnc4c3C(C)C(=O)N4)CC2)n1
Basic Information
| ChEMBL ID | CHEMBL5796741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQFSCVZGNAVNTK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
512.7
MW (Da)
4.19
ALogP
8
HBA
2
HBD
99.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-1 CHEMBL2553 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-1 | IC50 | = | 1.8 | nM | 8.74 | Kinase Activity Assay: Akt1 was prepared and assays of inhibitory activity of th... | - |
Data from ChEMBL 36 via Core Engine