Compound Detail
CHEMBL3651947
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C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)C1
Basic Information
| ChEMBL ID | CHEMBL3651947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTGLPUGPEBTEHU-MJBXVCDLSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
4.63
ALogP
5
HBA
3
HBD
106.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 9.0 | 9.0 | 1.0 | 2 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 9.0 | 8.575 | 1.0 | 2 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 8.7 | 8.55 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 | IC50 | = | 1.0 | nM | 9.0 | ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a lu... | - |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 1.0 | nM | 9.0 | ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a lu... | - |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 1.0 | nM | 9.0 | ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a lu... | - |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 2.0 | nM | 8.7 | ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a lu... | - |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 4.0 | nM | 8.4 | ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a lu... | - |
| Serine/threonine-protein kinase pim-3 | IC50 | = | 7.0 | nM | 8.15 | ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a lu... | - |
Data from ChEMBL 36 via Core Engine