Compound Detail
CHEMBL3919616
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C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(CCCO)c(NC(C)(C)C)nc34)[nH]c21
Basic Information
| ChEMBL ID | CHEMBL3919616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMLWOFMZTHIIIJ-GFCCVEGCSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
2.79
ALogP
6
HBA
4
HBD
112.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 9.96 | 9.96 | 0.1 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 9.92 | 9.92 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 | IC50 | = | 0.11 | nM | 9.96 | Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... | - |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 0.12 | nM | 9.92 | Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... | - |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 0.12 | nM | 9.92 | Homogeneous Time Resolved Fluorescence Assay (HTRF): The assay for the determina... | - |
Data from ChEMBL 36 via Core Engine