Compound Detail
CHEMBL3822881
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Basic Information
| ChEMBL ID | CHEMBL3822881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLLHJCOKOWCXJG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
2.49
ALogP
9
HBA
1
HBD
106.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | EC50 | 5.21 | 5.21 | 6100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | EC50 | = | 6100.0 | nM | 5.21 | Antiproliferative activity against human MCF7 cells assessed as reduction in cel... | 27115835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27115835 | 10.1021/acs.jmedchem.6b00065 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine