Compound Detail
CHEMBL3355882
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Basic Information
| ChEMBL ID | CHEMBL3355882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWFMGPWYOACYBH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
486.5
MW (Da)
5.11
ALogP
9
HBA
1
HBD
117.2
PSA (Ų)
0.13
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.53 | 5.495 | 2930.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.5 | nM | 9.3 | Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay | 25462282 |
| HT-29 | IC50 | = | 2930.0 | nM | 5.53 | Cytotoxicity against human HT-29 cells after 72 hrs under normoxia conditions by... | 25462282 |
| HT-29 | IC50 | = | 3460.0 | nM | 5.46 | Cytotoxicity against human HT-29 cells after 72 hrs under hypoxia conditions by ... | 25462282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25462282 | 10.1016/j.ejmech.2014.11.010 | HT-29 | 2 |
| 25462282 | 10.1016/j.ejmech.2014.11.010 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine