Compound Detail
CHEMBL3907594
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CC[C@]1(CN)CO[C@H](c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)OC1
Basic Information
| ChEMBL ID | CHEMBL3907594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYZJAGPJULWKIX-MEMLXQNLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
478.5
MW (Da)
3.06
ALogP
9
HBA
3
HBD
130.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 10.82 | 10.82 | 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 | = | 0.015 | nM | 10.82 | PIM Kinase Binding Assay: LC3K assay: PIM-1, -2, and -3 enzymes were generated a... | - |
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.015 | nM | 10.82 | PIM Kinase Binding Assay: LC3K assay: PIM-1, -2, and -3 enzymes were generated a... | - |
Data from ChEMBL 36 via Core Engine