Compound Detail
CHEMBL2058019
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Basic Information
| ChEMBL ID | CHEMBL2058019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOYUKAQNZHXJJL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
397.3
MW (Da)
4.74
ALogP
4
HBA
2
HBD
55.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.04
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 91.0 | nM | 7.04 | Antiproliferative activity against human MV4-11 cells after 72 hrs by MTT assay | 22748378 |
| HCT-116 | IC50 | = | 209.0 | nM | 6.68 | Antiproliferative activity against human HCT116 cells after 72 hrs by SRB assay | 22748378 |
| A549 | IC50 | = | 579.0 | nM | 6.24 | Antiproliferative activity against human A549 cells after 72 hrs by SRB assay | 22748378 |
| BALB/3T3 | IC50 | = | 742.0 | nM | 6.13 | Antiproliferative activity against mouse BALB/3T3 cells after 72 hrs by SRB assa... | 22748378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22748378 | 10.1016/j.bmc.2012.05.054 | BALB/3T3 | 3 |
| 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 |
Data from ChEMBL 36 via Core Engine