Compound Detail
CHEMBL5075173
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COC(=O)c1cc2c(c(OC)c1-c1ccc(N(C)C(=O)CN(C)C(=O)OC(C)(C)C)cc1)OCO2
Basic Information
| ChEMBL ID | CHEMBL5075173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDHWWCWWUPLGNJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
486.5
MW (Da)
3.71
ALogP
8
HBA
0
HBD
103.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-HEP1 CHEMBL614912 | IC50 | 4.05 | 4.05 | 89650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-HEP1 | IC50 | = | 89650.0 | nM | 4.05 | Antiproliferative activity against human SK-HEP1 cells incubated for 24 hrs by a... | 34038111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34038111 | 10.1021/acs.jmedchem.1c00018 | SK-HEP1 | 1 |
| 34038111 | 10.1021/acs.jmedchem.1c00018 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine