Compound Detail
CHEMBL3823606
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Basic Information
| ChEMBL ID | CHEMBL3823606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSWVUHGRSKMXFQ-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
1.63
ALogP
7
HBA
1
HBD
76.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.26
EC50 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Yes CHEMBL2073 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Tyrosine-protein kinase Fgr CHEMBL4454 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| MCF7 CHEMBL387 | EC50 | 4.31 | 4.31 | 48780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Fgr | IC50 | = | 550.0 | nM | 6.26 | Kinase Screening Assay: Compound IC50 values were determined from 10-point, 1:3 ... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 550.0 | nM | 6.26 | Kinase Screening Assay: Compound IC50 values were determined from 10-point, 1:3 ... | - |
| Tyrosine-protein kinase Yes | IC50 | = | 550.0 | nM | 6.26 | Kinase Screening Assay: Compound IC50 values were determined from 10-point, 1:3 ... | - |
| MCF7 | EC50 | = | 48780.0 | nM | 4.31 | 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 | 2 |
Data from ChEMBL 36 via Core Engine