Compound Detail
CHEMBL400913
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Basic Information
| ChEMBL ID | CHEMBL400913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUUFBDBCCVXYDE-DJKKODMXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
293.2
MW (Da)
2.86
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 4.65 | 4.65 | 22390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 22390.0 | nM | 4.65 | Antiproliferative activity against human SK-MN-C cells by MTT assay | 18159922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18159922 | 10.1021/jm7012562 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine