Compound Detail
CHEMBL4108045
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Cc1cccc(F)c1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)c(N)s1
Basic Information
| ChEMBL ID | CHEMBL4108045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSNGZNHOSAMFBI-NFAWXSAZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
3.34
ALogP
8
HBA
3
HBD
121.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 10.8 | 10.8 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.016 | nM | 10.8 | PIM Kinase Binding Assay: LC3K assay: PIM-1, -2, and -3 enzymes were generated a... | - |
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.016 | nM | 10.8 | PIM Kinase Binding Assay: LC3K assay: PIM-1, -2, and -3 enzymes were generated a... | - |
Data from ChEMBL 36 via Core Engine