Compound Detail
CHEMBL2158186
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Basic Information
| ChEMBL ID | CHEMBL2158186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJBIOXDJSGXRJV-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
414.2
MW (Da)
2.74
ALogP
6
HBA
1
HBD
125.0
PSA (Ų)
0.20
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.0
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| V79 | IC50 | = | 100.0 | nM | 7.0 | Antiproliferative activity against Chinese hamster V79 cells transfected with Es... | 21620697 |
| SK-OV-3 | IC50 | = | 430.0 | nM | 6.37 | Antiproliferative activity against human SKOV3 cells transfected with Escherichi... | 21620697 |
| SK-OV-3 | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against human SKOV3 cells | 30295477 |
| V79 | IC50 | = | 69000.0 | nM | 4.16 | Antiproliferative activity against Chinese hamster V79 cells assessed as reducti... | 21620697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21620697 | 10.1016/j.bmcl.2011.05.009 | SK-OV-3 | 5 |
| 21620697 | 10.1016/j.bmcl.2011.05.009 | V79 | 3 |
| 21620697 | 10.1016/j.bmcl.2011.05.009 | Unchecked | 2 |
| 21620697 | 10.1016/j.bmcl.2011.05.009 | Trypanosoma cruzi | 1 |
| 21620697 | 10.1016/j.bmcl.2011.05.009 | Trypanosoma brucei | 1 |
| 21620697 | 10.1016/j.bmcl.2011.05.009 | Leishmania major | 1 |
| 30295477 | 10.1021/acs.jmedchem.8b00147 | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine