Compound Detail
CHEMBL4647951
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
CN1CCN(c2ccc(NCCNc3ccc([N+](=O)[O-])c(N)n3)nc2-c2ccccc2)C(=O)C1
Basic Information
| ChEMBL ID | CHEMBL4647951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEJIFEXVKORYSS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
2.44
ALogP
9
HBA
3
HBD
142.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.7 | 6.7 | 202.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 202.0 | nM | 6.7 | Inhibition of GSK3 (unknown origin) using CREB peptide as substrate | 31926786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31926786 | 10.1016/j.bmcl.2019.126930 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine