Compound Detail
CHEMBL492739
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Basic Information
| ChEMBL ID | CHEMBL492739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCFATOGKCNMAAI-CMDGGOBGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
303.1
MW (Da)
4.05
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
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 assessed as cell viability after 48 hrs ... | 23771043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23771043 | 10.1016/j.ejmech.2013.04.064 | HCT-116 | 9 |
| 19233646 | 10.1016/j.bmcl.2009.02.001 | Prostaglandin G/H synthase 2 | 1 |
| 19233646 | 10.1016/j.bmcl.2009.02.001 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine