Compound Detail
CHEMBL3941451
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Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1-c1cnoc1
Basic Information
| ChEMBL ID | CHEMBL3941451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMGWBZXIQPUBFV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
556.6
MW (Da)
4.82
ALogP
9
HBA
1
HBD
102.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 8.8 | 8.8 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 0.9 | nM | 9.05 | P70S6K Enzyme Assay: P70S6K inhibitor compounds are diluted and plated in 96 wel... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 1.6 | nM | 8.8 | AKT Enzyme Assay: A TTP Mosquito liquid handling instrument is used to place 125... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 1.6 | nM | 8.8 | AKT Enzyme Assay: A TTP Mosquito liquid handling instrument is used to place 125... | - |
Data from ChEMBL 36 via Core Engine