Compound Detail
CHEMBL3897935
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(C(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL3897935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRWJGICMWHVMPU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
492.4
MW (Da)
3.36
ALogP
6
HBA
3
HBD
110.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 8.04 | 8.04 | 9.1 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.04 | 8.04 | 9.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 9.1 | nM | 8.04 | Enzyme Assay: P70S6K inhibitor compounds were diluted and plated in 96 well plat... | - |
| Unchecked | IC50 | = | 9.1 | nM | 8.04 | P70S6K Enzyme Assay: P70S6K inhibitor compounds were diluted and plated in 96 we... | - |
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 9.1 | nM | 8.04 | Enzyme Assay: P70S6K inhibitor compounds were diluted and plated in 96 well plat... | - |
Data from ChEMBL 36 via Core Engine