Compound Detail
CHEMBL1684624
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Basic Information
| ChEMBL ID | CHEMBL1684624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIHZVINYBHWPJY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
4.66
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-1080 CHEMBL614580 | IC50 | 4.32 | 4.32 | 48240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-1080 | IC50 | = | 48240.0 | nM | 4.32 | Cytotoxicity against human HT1080 cells by MTT assay | 21353568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353568 | 10.1016/j.bmc.2011.01.064 | HT-1080 | 1 |
| 21353568 | 10.1016/j.bmc.2011.01.064 | A549 | 1 |
| 21353568 | 10.1016/j.bmc.2011.01.064 | Col2 | 1 |
| 21353568 | 10.1016/j.bmc.2011.01.064 | HL-60 | 1 |
| 21353568 | 10.1016/j.bmc.2011.01.064 | SNU-638 | 1 |
Data from ChEMBL 36 via Core Engine