Compound Detail
CHEMBL4462047
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Basic Information
| ChEMBL ID | CHEMBL4462047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQDZSEPVAKFDSI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.6
MW (Da)
2.86
ALogP
4
HBA
1
HBD
60.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DLD-1 CHEMBL614285 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DLD-1 | IC50 | = | 19.0 | nM | 7.72 | Antiproliferative activity against human DLD1 cells after 72 hrs by Celltiter-Gl... | 31070915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31070915 | 10.1021/acs.jmedchem.9b00532 | DLD-1 | 1 |
| 31070915 | 10.1021/acs.jmedchem.9b00532 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine