Compound Detail
CHEMBL46091
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Basic Information
| ChEMBL ID | CHEMBL46091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHRMHLBMPDEAGT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
3.68
ALogP
6
HBA
1
HBD
100.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NUGC-3 CHEMBL614208 | IC50 | 5.44 | 5.44 | 3652.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NUGC-3 | IC50 | = | 3652.0 | nM | 5.44 | In vitro anticancer activity against human gastric NUGC3 cells | 12699388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12699388 | 10.1021/jm020471r | No relevant target | 1 |
| 12699388 | 10.1021/jm020471r | NUGC-3 | 1 |
Data from ChEMBL 36 via Core Engine