Compound Detail
CHEMBL4213657
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
O=C(N1CCN(c2ncnc3[nH]cc(Cl)c23)CC1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1
Basic Information
| ChEMBL ID | CHEMBL4213657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTSYEFFXDXXYAL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
493.8
MW (Da)
3.89
ALogP
5
HBA
2
HBD
77.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 2.9 | nM | 8.54 | Inhibition of AKT1 (unknown origin) using biotinylated-STK as substrate after 45... | 28704757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28704757 | 10.1016/j.ejmech.2017.06.067 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine