Compound Detail
CHEMBL1093130
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Basic Information
| ChEMBL ID | CHEMBL1093130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PACWTPSNQNKZSF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
215.2
MW (Da)
1.28
ALogP
4
HBA
0
HBD
64.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 4.96 | 4.96 | 10900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 10900.0 | nM | 4.96 | Cytotoxicity against human HCT116 cells after 24 to 96 hrs by MTS assay | 20303768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20303768 | 10.1016/j.bmc.2010.02.025 | HCT-116 | 5 |
| 20303768 | 10.1016/j.bmc.2010.02.025 | SK-N-MC | 1 |
| 20303768 | 10.1016/j.bmc.2010.02.025 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine