Compound Detail
CHEMBL3810044
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Basic Information
| ChEMBL ID | CHEMBL3810044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKDCOSRXMXYOJA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.8
MW (Da)
3.71
ALogP
5
HBA
3
HBD
78.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H1975 CHEMBL614348 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.83 | 4.83 | 14780.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.68 | 4.68 | 20870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H1975 | IC50 | = | 680.0 | nM | 6.17 | Antiproliferative activity against human NCI-H1975 cells over expressing EGFR af... | 27118497 |
| HepG2 | IC50 | = | 14780.0 | nM | 4.83 | Antiproliferative activity against human HepG2 cells over expressing EGFR after ... | 27118497 |
| NON-PROTEIN TARGET | IC50 | = | 20870.0 | nM | 4.68 | Antiproliferative activity against human SMMC7721 cells over expressing EGFR aft... | 27118497 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27118497 | 10.1016/j.bmcl.2016.04.032 | NON-PROTEIN TARGET | 1 |
| 27118497 | 10.1016/j.bmcl.2016.04.032 | HepG2 | 1 |
| 27118497 | 10.1016/j.bmcl.2016.04.032 | NCI-H1975 | 1 |
Data from ChEMBL 36 via Core Engine