Compound Detail
CHEMBL3648671
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Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CCC[C@@H](N)CC3)c(N)s2)c1F
Basic Information
| ChEMBL ID | CHEMBL3648671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPKJAXOUJBYVRS-GFCCVEGCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
3.28
ALogP
8
HBA
3
HBD
115.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 11.0 | 11.0 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.01 | nM | 11.0 | Pim Kinase Binding Activity: PIM-1, -2, and -3 enzymes were generated as fusion ... | - |
Data from ChEMBL 36 via Core Engine