Compound Detail
CHEMBL3613685
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Basic Information
| ChEMBL ID | CHEMBL3613685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSMQLBUKDWWBRF-SSZFMOIBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
3.55
ALogP
7
HBA
3
HBD
137.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.29 | 4.29 | 50850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 50850.0 | nM | 4.29 | Anticancer against human MCF7 cells assessed as tumor growth inhibition after 72... | 26256032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26256032 | 10.1016/j.ejmech.2015.07.030 | MCF7 | 1 |
| 26256032 | 10.1016/j.ejmech.2015.07.030 | Epidermal growth factor receptor | 1 |
| 26256032 | 10.1016/j.ejmech.2015.07.030 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine