Compound Detail
CHEMBL1993449
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Basic Information
| ChEMBL ID | CHEMBL1993449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEWXXLFUDNZPAF-KVOOEGMKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
3.58
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| CCD-841CoN CHEMBL4296406 | IC50 | 4.68 | 4.68 | 20800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 280.0 | nM | 6.55 | Cytotoxicity against human HCT116 cells assessed as inhibition of cell growth | 31864797 |
| CCD-841CoN | IC50 | = | 20800.0 | nM | 4.68 | Cytotoxicity against human CRL1790 cells assessed as inhibition of cell growth | 31864797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31864797 | 10.1016/j.bmcl.2019.126878 | HCT-116 | 10 |
| 31864797 | 10.1016/j.bmcl.2019.126878 | CCD-841CoN | 1 |
| 31864797 | 10.1016/j.bmcl.2019.126878 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine