Compound Detail
CHEMBL441474
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CC(C)N1C(=O)[C@H](NC(=O)Cc2cc(Cl)cc(Cl)c2)N=C(c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL441474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKJNQGDEJDRAPR-RUZDIDTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
480.4
MW (Da)
5.27
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Iks current in isolated guinea pig myocytes during a 1s voltage cl... | 9397166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9397166 | 10.1021/jm970517u | Unchecked | 1 |
| 9397166 | 10.1021/jm970517u | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine