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Compound Detail

CHEMBL5272365

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CCCC(=O)OCOC(=O)CCCc1ccccc1

Basic Information

ChEMBL ID CHEMBL5272365
Phase Preclinical
Structure Type MOL
InChI Key IXDLWFQZQQBARS-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
2.85
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20O4
MW 264.32
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.14

Activity Summary

IC50 3 meas. best 4.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SF-188
CHEMBL614906
IC50 4.12 4.12 76000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SF-188 IC50 = 76000.0 nM 4.12 Antiproliferative activity against human SF-188 cells assessed as cell growth in... 32679451

Literature References

PubMed DOI Target Context # Activities
32679451 10.1016/j.ejmech.2020.112628 Astrocyte 1
32679451 10.1016/j.ejmech.2020.112628 U-251 1
32679451 10.1016/j.ejmech.2020.112628 SF-188 1

Data from ChEMBL 36 via Core Engine