Compound Detail
CHEMBL4160645
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O=C(NC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl
Basic Information
| ChEMBL ID | CHEMBL4160645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNPRAPJPBIIPNU-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
555.2
MW (Da)
5.31
ALogP
4
HBA
3
HBD
107.2
PSA (Ų)
0.40
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.34
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.34 | 6.34 | 459.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 459.0 | nM | 6.34 | Protection against cisplatin-induced cell death in neonatal mouse HEI-OC1 cells ... | 30091915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30091915 | 10.1021/acs.jmedchem.8b00669 | Unchecked | 1 |
| 30091915 | 10.1021/acs.jmedchem.8b00669 | CDK2/Cyclin A2 | 1 |
| 30091915 | 10.1021/acs.jmedchem.8b00669 | Spiral organ of cochlea | 1 |
Data from ChEMBL 36 via Core Engine