Compound Detail
CHEMBL460458
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Basic Information
| ChEMBL ID | CHEMBL460458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRPYYNULBPNCDK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
3.40
ALogP
3
HBA
0
HBD
38.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-15 CHEMBL612263 | IC50 | 4.04 | 4.04 | 90630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-15 | IC50 | = | 90630.0 | nM | 4.04 | Cytotoxicity against human HCT15 cells after 48 hrs | 17673337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17673337 | 10.1016/j.ejmech.2007.05.002 | A549 | 1 |
| 17673337 | 10.1016/j.ejmech.2007.05.002 | SK-OV-3 | 1 |
| 17673337 | 10.1016/j.ejmech.2007.05.002 | SK-MEL-2 | 1 |
| 17673337 | 10.1016/j.ejmech.2007.05.002 | HCT-15 | 1 |
Data from ChEMBL 36 via Core Engine