Compound Detail
CHEMBL3961025
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CCn1c(NC(=O)c2ccc3cc4n(c3c2)[C@@H](C)[C@H](C)NC4=O)nc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL3961025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJOPJGOMKOBTAA-KBPBESRZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
3.96
ALogP
5
HBA
2
HBD
81.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-2 CHEMBL3906 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-2 | IC50 | = | 5.0 | nM | 8.3 | Kinase Glo Plus Assay: Human RSK2 protein, purchased from Invitrogen, is used to... | - |
Data from ChEMBL 36 via Core Engine