Compound Detail
CHEMBL2316154
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Basic Information
| ChEMBL ID | CHEMBL2316154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTWBBTPEPAYVAA-KVOOEGMKSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
4.99
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.41 | 5.405 | 3900.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.23 | 5.23 | 5840.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.93 | 4.93 | 11760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin)... | 23245570 |
| Epidermal growth factor receptor | IC50 | = | 3980.0 | nM | 5.4 | Time-Resolved Fluorescence Assay: The kinase activity of EGFR was detected accor... | - |
| NON-PROTEIN TARGET | IC50 | = | 5840.0 | nM | 5.23 | Antiproliferative activity against human A16-F10 cells after 48 hrs by MTT assay | 23245570 |
| HepG2 | IC50 | = | 11760.0 | nM | 4.93 | Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay | 23245570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23245570 | 10.1016/j.bmc.2012.11.031 | Epidermal growth factor receptor | 1 |
| 23245570 | 10.1016/j.bmc.2012.11.031 | NON-PROTEIN TARGET | 1 |
| 23245570 | 10.1016/j.bmc.2012.11.031 | HepG2 | 1 |
| 28340987 | 10.1016/j.bmc.2016.10.022 | NON-PROTEIN TARGET | 1 |
| 28340987 | 10.1016/j.bmc.2016.10.022 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine