Compound Detail
CHEMBL403718
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Basic Information
| ChEMBL ID | CHEMBL403718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUBMMRPREFIQQL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
449.0
MW (Da)
1.92
ALogP
6
HBA
2
HBD
111.3
PSA (Ų)
0.24
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H460 CHEMBL396 | IC50 | 5.24 | 4.79 | 5700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 5700.0 | nM | 5.24 | Cytotoxicity against human H460 cells under hypoxic condition after 2 hrs by Ala... | 18257544 |
| NCI-H460 | IC50 | = | 46000.0 | nM | 4.34 | Cytotoxicity against human H460 cells under normoxic condition after 2 hrs by Al... | 18257544 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18257544 | 10.1021/jm701028q | NCI-H460 | 3 |
| 18257544 | 10.1021/jm701028q | Liver | 1 |
Data from ChEMBL 36 via Core Engine