Compound Detail
CHEMBL3781690
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Basic Information
| ChEMBL ID | CHEMBL3781690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFHOZVHBJDQUNU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
415.4
MW (Da)
4.00
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-2 CHEMBL3906 | IC50 | 5.34 | 5.34 | 4580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-2 | IC50 | = | 4580.0 | nM | 5.34 | Inhibition of N-terminal His6 tagged full-length human recombinant active RSK2 u... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00469A | Ribosomal protein S6 kinase alpha-2 | 2 |
Data from ChEMBL 36 via Core Engine