Compound Detail
CHEMBL92985
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL92985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXULSIJDISMUNF-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
239.2
MW (Da)
3.51
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.25 | 7.25 | 56.0 | 2 |
| NCI-H1975 CHEMBL614348 | IC50 | 5.12 | 5.12 | 7580.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 5.09 | 5.09 | 8120.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.88 | 4.88 | 13230.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.82 | 4.82 | 14980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 56.0 | nM | 7.25 | Concentration required to inhibit the phosphorylation of a 14-residue fragment o... | 8568816 |
| Epidermal growth factor receptor | IC50 | = | 56.23 | nM | 7.25 | Inhibition of EGFR | 18271520 |
| NCI-H1975 | IC50 | = | 7580.0 | nM | 5.12 | Antiproliferative activity against human NCI-H1975 cells over expressing EGFR af... | 27118497 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 8120.0 | nM | 5.09 | Inhibition of GFP-fused human ABCG2 expressed in MDCK2 cells assessed as Hoechst... | 30390439 |
| HepG2 | IC50 | = | 13230.0 | nM | 4.88 | Antiproliferative activity against human HepG2 cells over expressing EGFR after ... | 27118497 |
| NON-PROTEIN TARGET | IC50 | = | 14980.0 | nM | 4.82 | Antiproliferative activity against human SMMC7721 cells over expressing EGFR aft... | 27118497 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30390439 | 10.1016/j.ejmech.2018.10.026 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 8568816 | 10.1021/jm9503613 | Epidermal growth factor receptor | 1 |
| 18271520 | 10.1021/jm070654j | Epidermal growth factor receptor | 1 |
| 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