Compound Detail
CHEMBL403721
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Basic Information
| ChEMBL ID | CHEMBL403721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNCZOTSQLSBCAN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
2.90
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H460 CHEMBL396 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 5500.0 | nM | 5.26 | Antiproliferative activity against human NCI-H460 cells after 72 hrs by trypan b... | 18077173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18077173 | 10.1016/j.bmc.2007.11.063 | NCI-H460 | 1 |
| 18077173 | 10.1016/j.bmc.2007.11.063 | HeLa | 1 |
| 18077173 | 10.1016/j.bmc.2007.11.063 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine