Compound Detail
CHEMBL4162142
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
Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(OCCC[N+](C)(C)[O-])nc4)ccc3ncc21
Basic Information
| ChEMBL ID | CHEMBL4162142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWWRBCANJMVMFO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
3.64
ALogP
8
HBA
0
HBD
94.2
PSA (Ų)
0.23
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine-protein kinase ATM CHEMBL3797 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Serine/threonine-protein kinase ATR CHEMBL5024 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine-protein kinase ATM | IC50 | = | 5.0 | nM | 8.3 | Inhibition of ATM autophosphorylation at Ser1981 in human HT29 cells preincubate... | 29683659 |
| Serine/threonine-protein kinase ATR | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of ATR in human HT29 cells assessed as decrease in Chk1 phosphorylati... | 29683659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29683659 | 10.1021/acs.jmedchem.7b01896 | Serine-protein kinase ATM | 1 |
| 29683659 | 10.1021/acs.jmedchem.7b01896 | Serine/threonine-protein kinase ATR | 1 |
Data from ChEMBL 36 via Core Engine