Compound Detail
CHEMBL223877
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N#Cc1cnc2cc(OCCCN3CCOCC3)c(NCc3c[nH]cn3)cc2c1Nc1ccc(F)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL223877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCBPMQZZBISZTL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
536.0
MW (Da)
5.08
ALogP
8
HBA
3
HBD
111.1
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 CHEMBL4899 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of Tpl2 kinase by ELISA | 16973359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16973359 | 10.1016/j.bmcl.2006.08.102 | Mitogen-activated protein kinase kinase kinase 8 | 1 |
Data from ChEMBL 36 via Core Engine