Compound Detail
CHEMBL3924878
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Cl.Fc1ccc(-c2c[nH]c(C3CCN(c4ncnc5[nH]ccc45)CC3)n2)cc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL3924878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVPNDLHCKHTFDT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3991140 |
| Active Moiety | CHEMBL3991140 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
430.4
MW (Da)
4.89
ALogP
4
HBA
2
HBD
73.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase CHEMBL3832633 | IC50 | 7.99 | 7.99 | 10.3 | 1 |
| Mus musculus CHEMBL375 | IC50 | 5.72 | 5.72 | 1920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase | IC50 | = | 10.3 | nM | 7.99 | Inhibition of recombinant human N-terminal His6-tagged p70S6K (1 to 421 residues... | - |
| Mus musculus | IC50 | = | 1920.0 | nM | 5.72 | In vivo inhibition of p70S6K in human HCT116 cells xenografted in po dosed athym... | - |
Data from ChEMBL 36 via Core Engine