Compound Detail
CHEMBL180073
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Basic Information
| ChEMBL ID | CHEMBL180073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGBBDDPFPUKUCZ-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
0.32
ALogP
6
HBA
2
HBD
109.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.7
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 20.0 | nM | 7.7 | Inhibitory concentration against MCF-7 human breast carcinoma cell line | 15715481 |
| MCF7 | IC50 | = | 22.0 | nM | 7.66 | Inhibitory concentration against MCF-7 human breast carcinoma cell line | 15715481 |
| MCF7 | IC50 | = | 31.0 | nM | 7.51 | Inhibitory concentration against MCF-7 human breast carcinoma cell line | 15715481 |
| SW-620 | IC50 | = | 34.0 | nM | 7.47 | Inhibitory concentration against SW 620 human colon carcinoma cell line | 15715481 |
| SW-620 | IC50 | = | 35.0 | nM | 7.46 | Inhibitory concentration against SW 620 human colon carcinoma cell line | 15715481 |
| SW-620 | IC50 | = | 47.0 | nM | 7.33 | Inhibitory concentration against SW 620 human colon carcinoma cell line | 15715481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15715481 | 10.1021/jm0408565 | MCF7 | 3 |
| 15715481 | 10.1021/jm0408565 | SW-620 | 3 |
Data from ChEMBL 36 via Core Engine