Compound Detail
CHEMBL297334
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Basic Information
| ChEMBL ID | CHEMBL297334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPQISQTXNWITMV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
3.10
ALogP
7
HBA
1
HBD
103.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NUGC-3 CHEMBL614208 | IC50 | 6.32 | 6.32 | 478.0 | 1 |
| MES-SA/Dx5 CHEMBL613827 | IC50 | 5.03 | 5.02 | 9390.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NUGC-3 | IC50 | = | 478.0 | nM | 6.32 | In vitro anticancer activity against human gastric NUGC3 cells | 12699388 |
| MES-SA/Dx5 | IC50 | = | 9390.0 | nM | 5.03 | In vitro anticancer activity against human uterus MES-SA cells | 12699388 |
| MES-SA/Dx5 | IC50 | = | 9763.0 | nM | 5.01 | In vitro anticancer activity against human uterus MES-SA/Dx5 subline (doxorubici... | 12699388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12699388 | 10.1021/jm020471r | MES-SA/Dx5 | 2 |
| 12699388 | 10.1021/jm020471r | No relevant target | 1 |
| 12699388 | 10.1021/jm020471r | NUGC-3 | 1 |
| 12699388 | 10.1021/jm020471r | HepG2 | 1 |
| 12699388 | 10.1021/jm020471r | MCF7S | 1 |
| 12699388 | 10.1021/jm020471r | MCF7 | 1 |
| 12699388 | 10.1021/jm020471r | P388 | 1 |
Data from ChEMBL 36 via Core Engine