Compound Detail
CHEMBL4637174
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COc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(CCC(=O)NCCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc13)C(=O)N2C
Basic Information
| ChEMBL ID | CHEMBL4637174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPHFNVLXCWCNMO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
794.9
MW (Da)
4.36
ALogP
10
HBA
4
HBD
200.4
PSA (Ų)
0.09
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MV4-11 CHEMBL613835 | IC50 | 5.46 | 5.46 | 3429.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 3429.0 | nM | 5.46 | Antiproliferative activity against human MV4-11 cells assessed as reduction in c... | 31767403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31767403 | 10.1016/j.bmc.2019.115181 | MOLM-13 | 1 |
| 31767403 | 10.1016/j.bmc.2019.115181 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine