Compound Detail
CHEMBL2036339
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Basic Information
| ChEMBL ID | CHEMBL2036339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJTIKIQJUZWNSW-JOBJLJCHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
3.31
ALogP
3
HBA
0
HBD
42.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.25
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 5580.0 | nM | 5.25 | Cytotoxicity against human PC3 cells after 72 hrs by MTT assay | 22551677 |
| HT-29 | IC50 | = | 7580.0 | nM | 5.12 | Cytotoxicity against human HT-29 cells after 72 hrs by MTT assay | 22551677 |
| PANC-1 | IC50 | = | 7880.0 | nM | 5.1 | Cytotoxicity against human PANC1 cells after 72 hrs by MTT assay | 22551677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24321832 | 10.1016/j.ejmech.2013.11.011 | Cruzipain | 2 |
| 24321832 | 10.1016/j.ejmech.2013.11.011 | Trypanothione reductase | 2 |
| 22551677 | 10.1016/j.ejmech.2012.04.005 | PC-3 | 1 |
| 22551677 | 10.1016/j.ejmech.2012.04.005 | PANC-1 | 1 |
| 22551677 | 10.1016/j.ejmech.2012.04.005 | HT-29 | 1 |
| 24321832 | 10.1016/j.ejmech.2013.11.011 | Glutathione reductase, mitochondrial | 1 |
| 24321832 | 10.1016/j.ejmech.2013.11.011 | Leishmania amazonensis | 1 |
| 24321832 | 10.1016/j.ejmech.2013.11.011 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine