Compound Detail
CHEMBL1684629
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Basic Information
| ChEMBL ID | CHEMBL1684629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIGINRXAVGTBEG-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
3.95
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.6
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-1080 | IC50 | = | 250.0 | nM | 6.6 | Cytotoxicity against human HT1080 cells by MTT assay | 21353568 |
| Col2 | IC50 | = | 2130.0 | nM | 5.67 | Cytotoxicity against human Col2 cells by MTT assay | 21353568 |
| HL-60 | IC50 | = | 3330.0 | nM | 5.48 | Cytotoxicity against human HL60 cells by MTT assay | 21353568 |
| A549 | IC50 | = | 5460.0 | nM | 5.26 | Cytotoxicity against human A549 cells by MTT assay | 21353568 |
| SNU-638 | IC50 | = | 8240.0 | nM | 5.08 | Cytotoxicity against human SNU638 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 | Col2 | 1 |
| 21353568 | 10.1016/j.bmc.2011.01.064 | HL-60 | 1 |
| 21353568 | 10.1016/j.bmc.2011.01.064 | A549 | 1 |
| 21353568 | 10.1016/j.bmc.2011.01.064 | SNU-638 | 1 |
| 21353568 | 10.1016/j.bmc.2011.01.064 | DNA topoisomerase 1 | 1 |
Data from ChEMBL 36 via Core Engine