Compound Detail
CHEMBL2158074
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Basic Information
| ChEMBL ID | CHEMBL2158074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBVQKUIUMUAGGI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
341.2
MW (Da)
2.47
ALogP
4
HBA
0
HBD
72.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| V79 CHEMBL614074 | IC50 | 5.54 | 4.875 | 2900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| V79 | IC50 | = | 2900.0 | nM | 5.54 | Antiproliferative activity against Chinese hamster V79 cells transfected with Es... | 21620697 |
| V79 | IC50 | = | 62000.0 | nM | 4.21 | 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 | V79 | 3 |
| 21620697 | 10.1016/j.bmcl.2011.05.009 | SK-OV-3 | 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 |
Data from ChEMBL 36 via Core Engine