Compound Detail
CHEMBL5305160
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
CC1(C)C(=O)N([C@H]2CCc3c(O)cccc32)c2nc(Nc3cccc(CN4CCCC4)c3)ncc21
Basic Information
| ChEMBL ID | CHEMBL5305160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFIFLUFVENTCNZ-QHCPKHFHSA-N |
11
Targets
15
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
4.83
ALogP
6
HBA
2
HBD
81.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 15 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase MARK2 CHEMBL3831 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| MAP/microtubule affinity-regulating kinase 4 CHEMBL5754 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Serine/threonine-protein kinase MARK1 CHEMBL5940 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| MAP/microtubule affinity-regulating kinase 3 CHEMBL5600 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| NUAK family SNF1-like kinase 1 CHEMBL5784 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| AMPK alpha1/alpha2 CHEMBL3038454 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Serine/threonine-protein kinase SIK2 CHEMBL5699 | IC50 | 7.92 | 7.92 | 12.0 | 2 |
| Maternal embryonic leucine zipper kinase CHEMBL4578 | IC50 | 7.54 | 7.23 | 29.0 | 2 |
| Serine/threonine-protein kinase SIK3 CHEMBL6149 | IC50 | 7.37 | 7.37 | 43.0 | 2 |
| Serine/threonine-protein kinase SIK1 CHEMBL6082 | IC50 | 6.96 | 6.96 | 110.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303300 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5303300 | U2OS | 304 |
| - | 10.6019/CHEMBL5303300 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5303304 | U2OS | 10 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 9 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 8 |
| 38147525 | 10.1021/acs.jmedchem.3c01428 | Maternal embryonic leucine zipper kinase | 2 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 1 |
| 38147525 | 10.1021/acs.jmedchem.3c01428 | Serine/threonine-protein kinase SIK1 | 1 |
| 38147525 | 10.1021/acs.jmedchem.3c01428 | Serine/threonine-protein kinase SIK2 | 1 |
| 38147525 | 10.1021/acs.jmedchem.3c01428 | Serine/threonine-protein kinase SIK3 | 1 |
| 37178481 | 10.1016/j.ejmech.2023.115469 | Serine/threonine-protein kinase SIK3 | 1 |
Data from ChEMBL 36 via Core Engine