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Compound Detail

CHEMBL386761

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CC1CCC2C(CC3(CCCCCCCC4(CC5C(=O)OC6OC7(C)CCC8C(C)CCC5C68OO7)C(=O)OC5OC6(C)CCC7C(C)CCC4C57OO6)C(=O)OC4OC5(C)CCC6C(C)CCC3C46OO5)C(=O)OC3OC4(C)CCC1C32OO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL386761
Phase Preclinical
Structure Type MOL
InChI Key NBJUGGJBVUJNQU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

1193.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C65H92O20
MW 1193.43

Activity Summary

IC50 2 meas. best 5.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ADMET
CHEMBL612558
 IC50 5.27 5.27 5400.0 1
BC
CHEMBL613535
 IC50 5.02 5.02 9600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ADMET IC50 = 5400.0 nM 5.27 Cytotoxicity against KB cells. 11741486
BC IC50 = 9600.0 nM 5.02 Cytotoxicity against BC cells. 11741486

Literature References

PubMed DOI Target Context # Activities
11741486 10.1021/jm0103007 ADMET 2
11741486 10.1021/jm0103007 Plasmodium falciparum 1
11741486 10.1021/jm0103007 BC 1
11741486 10.1021/jm0103007 Vero 1

Data from ChEMBL 36 via Core Engine