Compound Detail
CHEMBL2414122
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Basic Information
| ChEMBL ID | CHEMBL2414122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDCGPWQCRCGUNO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
3.17
ALogP
5
HBA
2
HBD
75.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DU-145 CHEMBL613508 | IC50 | 4.99 | 4.99 | 10280.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.69 | 4.69 | 20510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DU-145 | IC50 | = | 10280.0 | nM | 4.99 | Cytotoxicity against human DU145 cells assessed as growth inhibition after 72 hr... | 23791367 |
| MDA-MB-231 | IC50 | = | 20510.0 | nM | 4.69 | Cytotoxicity against human MDA-MB-231 cells assessed as growth inhibition after ... | 23791367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23791367 | 10.1016/j.bmc.2013.05.017 | Signal transducer and activator of transcription 3 | 1 |
| 23791367 | 10.1016/j.bmc.2013.05.017 | HT-29 | 1 |
| 23791367 | 10.1016/j.bmc.2013.05.017 | MDA-MB-231 | 1 |
| 23791367 | 10.1016/j.bmc.2013.05.017 | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine