Compound Detail
CHEMBL3589991
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Basic Information
| ChEMBL ID | CHEMBL3589991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDGBWEMXPWCFFW-AATRIKPKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
4.62
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 20000.0 | nM | 4.7 | Antiproliferative activity against human MCF7 cells assessed as cell growth inhi... | 26069928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26069928 | 10.1016/j.ejmech.2015.05.034 | NON-PROTEIN TARGET | 1 |
| 26069928 | 10.1016/j.ejmech.2015.05.034 | MCF7 | 1 |
| 26069928 | 10.1016/j.ejmech.2015.05.034 | M21 | 1 |
| 26069928 | 10.1016/j.ejmech.2015.05.034 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine