Compound Detail
CHEMBL447087
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Basic Information
| ChEMBL ID | CHEMBL447087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKLKGSHBXNPUDU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.9
MW (Da)
2.74
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DLD-1 CHEMBL614285 | IC50 | 4.04 | 4.04 | 91300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DLD-1 | IC50 | = | 91300.0 | nM | 4.04 | Cytotoxicity against human DLD1 cells after 96 hrs by MTT assay | 15387639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15387639 | 10.1021/np0305268 | DLD-1 | 1 |
| 15387639 | 10.1021/np0305268 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine