Compound Detail
CHEMBL3238332
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Basic Information
| ChEMBL ID | CHEMBL3238332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFZFXZVMGMTYEE-ZEELXFFVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
5.50
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.19 | 4.19 | 64600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 64600.0 | nM | 4.19 | Cytotoxicity against human MCF7 cells preincubated for 4 hrs followed by incubat... | 29605808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24611893 | 10.1021/jm401879z | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 1 |
| 29605808 | 10.1016/j.ejmech.2018.03.063 | DLD-1 | 1 |
| 29605808 | 10.1016/j.ejmech.2018.03.063 | MCF7 | 1 |
| 29605808 | 10.1016/j.ejmech.2018.03.063 | WRL68 | 1 |
| 29605808 | 10.1016/j.ejmech.2018.03.063 | A-431 | 1 |
| 29605808 | 10.1016/j.ejmech.2018.03.063 | A549 | 1 |
Data from ChEMBL 36 via Core Engine