Compound Detail
CHEMBL3889534
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Basic Information
| ChEMBL ID | CHEMBL3889534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBPOPQFIGUANJS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3990361 |
| Active Moiety | CHEMBL3990361 |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
413.4
MW (Da)
4.15
ALogP
5
HBA
2
HBD
86.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase CHEMBL3832633 | IC50 | 7.53 | 7.53 | 29.4 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.54 | 5.0133 | 2920.0 | 3 |
| Mus musculus CHEMBL375 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase | IC50 | = | 29.4 | nM | 7.53 | Inhibition of recombinant human N-terminal His6-tagged p70S6K (1 to 421 residues... | - |
| NON-PROTEIN TARGET | IC50 | = | 2920.0 | nM | 5.54 | Antiangiogenic activity in HUVEC co-cultured with NHDF assessed as inhibition of... | - |
| Mus musculus | IC50 | = | 7300.0 | nM | 5.14 | In vivo inhibition of p70S6K in human HCT116 cells xenografted in po dosed athym... | - |
| NON-PROTEIN TARGET | IC50 | = | 14600.0 | nM | 4.84 | Cytotoxicity against human U87MG cells assessed as inhibition of cell proliferat... | - |
| NON-PROTEIN TARGET | IC50 | = | 22000.0 | nM | 4.66 | Cytotoxicity against human A549 cells assessed as inhibition of cell proliferati... | - |
Data from ChEMBL 36 via Core Engine