Compound Detail
CHEMBL5611922
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Basic Information
| ChEMBL ID | CHEMBL5611922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXTIUIJXFOARCN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
4.21
ALogP
5
HBA
1
HBD
93.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MGC-803 CHEMBL3706566 | IC50 | 5.7 | 5.7 | 1983.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MGC-803 | IC50 | = | 1983.0 | nM | 5.7 | Antiproliferative activity against human MGC-803 cells assessed as inhibition of... | 38901104 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38901104 | 10.1016/j.ejmech.2024.116611 | MGC-803 | 1 |
| 38901104 | 10.1016/j.ejmech.2024.116611 | KYSE-30 | 1 |
| 38901104 | 10.1016/j.ejmech.2024.116611 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine