Compound Detail
CHEMBL2058010
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Basic Information
| ChEMBL ID | CHEMBL2058010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKEOLQOYPYUERT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
3.67
ALogP
4
HBA
0
HBD
30.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.79
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 164.0 | nM | 6.79 | Antiproliferative activity against human MV4-11 cells after 72 hrs by MTT assay | 22748378 |
| A549 | IC50 | = | 1509.0 | nM | 5.82 | Antiproliferative activity against human A549 cells after 72 hrs by SRB assay | 22748378 |
| BALB/3T3 | IC50 | = | 1607.0 | nM | 5.79 | Antiproliferative activity against mouse BALB/3T3 cells after 72 hrs by SRB assa... | 22748378 |
| HCT-116 | IC50 | = | 1795.0 | nM | 5.75 | Antiproliferative activity against human HCT116 cells after 72 hrs by SRB assay | 22748378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22748378 | 10.1016/j.bmc.2012.05.054 | MV4-11 | 1 |
| 22748378 | 10.1016/j.bmc.2012.05.054 | A549 | 1 |
| 22748378 | 10.1016/j.bmc.2012.05.054 | HCT-116 | 1 |
| 22748378 | 10.1016/j.bmc.2012.05.054 | BALB/3T3 | 1 |
| - | 10.1007/s00044-011-9934-4 | Schistosoma mansoni | 1 |
Data from ChEMBL 36 via Core Engine