Compound Detail
CHEMBL5687057
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
CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21
Basic Information
| ChEMBL ID | CHEMBL5687057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVIXSPFFCUNNHO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
556.1
MW (Da)
6.04
ALogP
9
HBA
1
HBD
102.0
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase N1 CHEMBL3384 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase N1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of PAK1 (unknown origin) | 25415869 |
| Serine/threonine-protein kinase PAK 4 | IC50 | = | 960.0 | nM | 6.02 | Inhibition of PAK4 (unknown origin) | 25415869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25415869 | 10.1021/jm501613q | Serine/threonine-protein kinase N1 | 1 |
| 25415869 | 10.1021/jm501613q | Serine/threonine-protein kinase PAK 4 | 1 |
Data from ChEMBL 36 via Core Engine