Compound Detail
CHEMBL5564686
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
CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc3cc(C(=O)N4C[C@@H](CCl)c5c4cc(O)c4ccccc54)[nH]c3c2)cc1
Basic Information
| ChEMBL ID | CHEMBL5564686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZXQBIDDBQCHFP-OAQYLSRUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
611.1
MW (Da)
7.61
ALogP
5
HBA
4
HBD
123.8
PSA (Ų)
0.15
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA CHEMBL2311221 | IC50 | 10.4 | 10.4 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA | IC50 | = | 0.04 | nM | 10.4 | Induction of DNA (unknown origin) minor groove alkylation | 38980167 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38980167 | 10.1021/acs.jmedchem.4c00106 | DNA | 1 |
Data from ChEMBL 36 via Core Engine