Compound Detail
CHEMBL5789057
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
Cc1cc(-c2cn(C3CC3)c3ncnc(N)c23)ccc1NC(=O)Nc1cc(C2(C(F)(F)F)CC2)no1
Basic Information
| ChEMBL ID | CHEMBL5789057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDTIORTUCMXXLA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
5.55
ALogP
7
HBA
3
HBD
123.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Nek7 CHEMBL4849 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Nek7 | IC50 | = | 1000.0 | nM | 6.0 | Enzymatic Assay: Casein substrate (from bovine milk, hydrolyzed and partially de... | - |
Data from ChEMBL 36 via Core Engine