Compound Detail
CHEMBL92824
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Basic Information
| ChEMBL ID | CHEMBL92824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCOMYMMMFREKQC-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
4.39
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.24 | 6.2367 | 577.0 | 3 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 6.03 | 5.92 | 940.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 577.0 | nM | 6.24 | Evaluation of inhibitory activity against phospholipase C-gamma1 phosphorylation... | 7658435 |
| Epidermal growth factor receptor | IC50 | = | 577.0 | nM | 6.24 | Concentration required to inhibit the phosphorylation of a 14-residue fragment o... | 8568816 |
| Epidermal growth factor receptor | IC50 | = | 588.84 | nM | 6.23 | Inhibition of EGFR | 18271520 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 940.0 | nM | 6.03 | Inhibition of human BCRP expressed in MDCK2 cells assessed as Hoechst 33342 accu... | 24184213 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 1550.0 | nM | 5.81 | Inhibition of human BCRP expressed in MDCK2 cells assessed as pheophorbide A acc... | 24184213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21215643 | 10.1016/j.bmc.2010.11.059 | Cannabinoid receptor 2 | 3 |
| 24184213 | 10.1016/j.bmc.2013.10.007 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 7658435 | 10.1021/jm00018a008 | Epidermal growth factor receptor | 1 |
| 8568816 | 10.1021/jm9503613 | Epidermal growth factor receptor | 1 |
| 18271520 | 10.1021/jm070654j | Epidermal growth factor receptor | 1 |
| 21215643 | 10.1016/j.bmc.2010.11.059 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine