Compound Detail
CHEMBL297393
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CN(C)CCC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)Nc3cccc(C(=O)Nc4ccc(NC(=O)CCN(C)C)cc4)c3)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL297393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGFDFFBMHSHALS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
678.8
MW (Da)
5.62
ALogP
7
HBA
6
HBD
164.0
PSA (Ų)
0.10
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.91 | 4.91 | 12200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 12200.0 | nM | 4.91 | Cytotoxicity against human MCF7 cells after 96 hrs by SRB assay | 19053833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053833 | 10.1021/jm801245v | Unchecked | 5 |
| 19053833 | 10.1021/jm801245v | MCF7 | 2 |
| 19053833 | 10.1021/jm801245v | A549 | 2 |
| 19053833 | 10.1021/jm801245v | ADMET | 1 |
Data from ChEMBL 36 via Core Engine