Compound Detail
CHEMBL1806703
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Basic Information
| ChEMBL ID | CHEMBL1806703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDTFYYCRNBGCHM-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
3.94
ALogP
4
HBA
2
HBD
98.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 6.64 | 6.64 | 231.0 | 1 |
| K562 CHEMBL385 | IC50 | 6.09 | 6.09 | 813.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 5.74 | 5.74 | 1840.0 | 1 |
| COLO 205 CHEMBL614561 | IC50 | 5.41 | 5.41 | 3893.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.09 | 5.07 | 8161.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 231.0 | nM | 6.64 | Anticancer activity against human A549 cells by MTT assay | 21570750 |
| K562 | IC50 | = | 813.0 | nM | 6.09 | Anticancer activity against human K562 cells by MTT assay | 21570750 |
| SK-OV-3 | IC50 | = | 1840.0 | nM | 5.74 | Anticancer activity against human SKOV3 cells by MTT assay | 21570750 |
| COLO 205 | IC50 | = | 3893.0 | nM | 5.41 | Anticancer activity against human COLO205 cells by MTT assay | 21570750 |
| NON-PROTEIN TARGET | IC50 | = | 8161.0 | nM | 5.09 | Anticancer activity against mouse P388D1 cells by MTT assay | 21570750 |
| NON-PROTEIN TARGET | IC50 | = | 8920.0 | nM | 5.05 | Anticancer activity against human KATO III cells by MTT assay | 21570750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21570750 | 10.1016/j.ejmech.2011.04.042 | NON-PROTEIN TARGET | 2 |
| 21570750 | 10.1016/j.ejmech.2011.04.042 | Mus musculus | 2 |
| 21570750 | 10.1016/j.ejmech.2011.04.042 | A549 | 1 |
| 21570750 | 10.1016/j.ejmech.2011.04.042 | COLO 205 | 1 |
| 21570750 | 10.1016/j.ejmech.2011.04.042 | K562 | 1 |
| 21570750 | 10.1016/j.ejmech.2011.04.042 | SK-OV-3 | 1 |
| 21570750 | 10.1016/j.ejmech.2011.04.042 | NCI-H23 | 1 |
| 21570750 | 10.1016/j.ejmech.2011.04.042 | SW-620 | 1 |
Data from ChEMBL 36 via Core Engine