Compound Detail
CHEMBL1215609
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Basic Information
| ChEMBL ID | CHEMBL1215609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDHZGMSZCVJKRF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
315.3
MW (Da)
3.52
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.004 | mL.min-1.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 30000.0 | nM | 4.52 | Cytotoxicity against human HCT116 cells by Alamar blue assay | 20662534 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20662534 | 10.1021/jm100060b | HCT-116 | 3 |
| 20662534 | 10.1021/jm100060b | ADMET | 1 |
Data from ChEMBL 36 via Core Engine