Compound Detail
CHEMBL3347471
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Basic Information
| ChEMBL ID | CHEMBL3347471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLIMGRWSXYNDBZ-LBPRGKRZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
248.4
MW (Da)
4.04
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 4.91 | 4.78 | 12300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 12300.0 | nM | 4.91 | Antimigratory activity against human MDA-MB-231 cells after 24 hrs by wound-heal... | - |
| MDA-MB-231 | IC50 | = | 22200.0 | nM | 4.65 | Growth inhibition of human MDA-MB-231 cells after 72 hrs by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20185B | NON-PROTEIN TARGET | 14 |
| - | 10.1039/C2MD20185B | MDA-MB-231 | 5 |
| - | 10.1039/C2MD20185B | MCF7 | 2 |
| - | 10.1039/C2MD20185B | ACHN | 1 |
| - | 10.1039/C2MD20185B | CCRF-CEM | 1 |
| - | 10.1039/C2MD20185B | Malme-3M | 1 |
| - | 10.1039/C2MD20185B | M14 | 1 |
| - | 10.1039/C2MD20185B | MDA-MB-435 | 1 |
| - | 10.1039/C2MD20185B | SK-MEL-2 | 1 |
| - | 10.1039/C2MD20185B | SK-MEL-28 | 1 |
| - | 10.1039/C2MD20185B | SK-MEL-5 | 1 |
| - | 10.1039/C2MD20185B | IGROV-1 | 1 |
| - | 10.1039/C2MD20185B | 786-0 | 1 |
| - | 10.1039/C2MD20185B | A498 | 1 |
| - | 10.1039/C2MD20185B | CAKI-1 | 1 |
| - | 10.1039/C2MD20185B | RXF 393 | 1 |
| - | 10.1039/C2MD20185B | SN12C | 1 |
| - | 10.1039/C2MD20185B | TK-10 | 1 |
| - | 10.1039/C2MD20185B | BT-549 | 1 |
| - | 10.1039/C2MD20185B | T47D | 1 |
Data from ChEMBL 36 via Core Engine