Compound Detail
CHEMBL453019
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Basic Information
| ChEMBL ID | CHEMBL453019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPTFURBXHJWNHR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
2.56
ALogP
6
HBA
0
HBD
57.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MGC-803 CHEMBL3706566 | IC50 | 4.03 | 4.03 | 94500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MGC-803 | IC50 | = | 94500.0 | nM | 4.03 | Antiproliferative activity against human MGC-803 cells assessed as reduction in ... | 35286954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29400966 | 10.1021/acs.jnatprod.7b00847 | Acetylcholinesterase | 1 |
| 31515186 | 10.1016/j.bmcl.2019.126642 | Trypanosoma brucei rhodesiense | 1 |
| 31515186 | 10.1016/j.bmcl.2019.126642 | Leishmania donovani | 1 |
| 31515186 | 10.1016/j.bmcl.2019.126642 | Trypanosoma cruzi | 1 |
| 35286954 | 10.1016/j.bmc.2022.116705 | MGC-803 | 1 |
| 35286954 | 10.1016/j.bmc.2022.116705 | HGC-27 | 1 |
| 35286954 | 10.1016/j.bmc.2022.116705 | GES1 | 1 |
Data from ChEMBL 36 via Core Engine