Compound Detail
CHEMBL4217967
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Basic Information
| ChEMBL ID | CHEMBL4217967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQGGEUICSGZJDO-DEDYPNTBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
1.27
ALogP
7
HBA
3
HBD
128.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| EC9706 CHEMBL4296412 | IC50 | 5.46 | 5.46 | 3510.0 | 1 |
| MGC-803 CHEMBL3706566 | IC50 | 5.04 | 5.04 | 9090.0 | 1 |
| ECa-109 cell line CHEMBL614668 | IC50 | 4.67 | 4.67 | 21360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| EC9706 | IC50 | = | 3510.0 | nM | 5.46 | Antiproliferative activity against human EC9706 cells after 72 hrs by MTT assay | 29475156 |
| MGC-803 | IC50 | = | 9090.0 | nM | 5.04 | Antiproliferative activity against human MGC803 cells after 72 hrs by MTT assay | 29475156 |
| ECa-109 cell line | IC50 | = | 21360.0 | nM | 4.67 | Antiproliferative activity against human EC109 cells after 72 hrs by MTT assay | 29475156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29475156 | 10.1016/j.ejmech.2018.02.033 | SMMC-7721 | 1 |
| 29475156 | 10.1016/j.ejmech.2018.02.033 | EC9706 | 1 |
| 29475156 | 10.1016/j.ejmech.2018.02.033 | ECa-109 cell line | 1 |
| 29475156 | 10.1016/j.ejmech.2018.02.033 | MGC-803 | 1 |
| 29475156 | 10.1016/j.ejmech.2018.02.033 | MCF7 | 1 |
| 29475156 | 10.1016/j.ejmech.2018.02.033 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine