Compound Detail
CHEMBL5078537
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COC(=O)c1cccc(N(C(=O)CCl)C(C(=O)NCCc2ccccc2)c2ccc([N+](=O)[O-])cc2)c1
Basic Information
| ChEMBL ID | CHEMBL5078537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTLFNYYHADKDMD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
509.9
MW (Da)
4.05
ALogP
6
HBA
1
HBD
118.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Huh-7 CHEMBL614039 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Huh-7 | EC50 | = | 100.0 | nM | 7.0 | Antiproliferative activity against human Huh-7 cells after 24 hrs by Cell Titer ... | - |
Data from ChEMBL 36 via Core Engine