Compound Detail
CHEMBL3917577
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)(O)[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
Basic Information
| ChEMBL ID | CHEMBL3917577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMIBDYYYDQCKBY-WKILWMFISA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
5.04
ALogP
6
HBA
2
HBD
71.7
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 8.05 | 8.05 | 9.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 9.0 | nM | 8.05 | Kinase-Glo Assay: These assays are set up in duplicate 50 ul volumes in white, f... | - |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 9.0 | nM | 8.05 | Kinase-Glo Assay: These assays are set up in duplicate 50 ul volumes in white, f... | - |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 9.0 | nM | 8.05 | Pim-1 Kinase Inhibition Assay: One illustrative manner in which Pim-1 kinase act... | - |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 9.0 | nM | 8.05 | Kinase Inhibition Assay: One illustrative manner in which Pim-1 kinase activity ... | - |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 9.0 | nM | 8.05 | Pim-1 Kinase Inhibition Assay: One illustrative manner in which Pim-1 kinase act... | - |
Data from ChEMBL 36 via Core Engine