Compound Detail
CHEMBL1939530
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Basic Information
| ChEMBL ID | CHEMBL1939530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGNMWAGPBKAYJX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
4.15
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.5 | 4.5 | 31400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 31400.0 | nM | 4.5 | Antiproliferative activity against human MCF7 cells after 72 hrs by SRB assay | 22115839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22115839 | 10.1016/j.bmc.2011.09.031 | NAD(P)H dehydrogenase [quinone] 1 | 7 |
| 23142320 | 10.1016/j.bmc.2012.10.006 | NAD(P)H dehydrogenase [quinone] 1 | 4 |
| 22115839 | 10.1016/j.bmc.2011.09.031 | Aromatase | 2 |
| 23142320 | 10.1016/j.bmc.2012.10.006 | Nitric oxide synthase, inducible | 2 |
| 23142320 | 10.1016/j.bmc.2012.10.006 | Unchecked | 2 |
| 23142320 | 10.1016/j.bmc.2012.10.006 | Aromatase | 2 |
| 22115839 | 10.1016/j.bmc.2011.09.031 | Unchecked | 1 |
| 22115839 | 10.1016/j.bmc.2011.09.031 | Radical scavenging activity | 1 |
| 22115839 | 10.1016/j.bmc.2011.09.031 | MCF7 | 1 |
| 22115839 | 10.1016/j.bmc.2011.09.031 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine