Compound Detail
CHEMBL3895124
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CCn1c(NC2(C)CC2)nc2c(-c3cc4c([nH]3)[C@@H](C)NC4=O)c(F)ccc2c1=O
Basic Information
| ChEMBL ID | CHEMBL3895124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVKOJQHRIKGCMQ-SNVBAGLBSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
3.32
ALogP
5
HBA
3
HBD
91.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 10.89 | 10.89 | 0.0 | 2 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 10.42 | 10.42 | 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 | IC50 | = | 0.013 | nM | 10.89 | Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... | - |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 0.013 | nM | 10.89 | Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... | - |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 0.0378 | nM | 10.42 | Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... | - |
Data from ChEMBL 36 via Core Engine