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Compound Detail

CHEMBL395845

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CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL395845
Phase Preclinical
Structure Type MOL
InChI Key YTBWOCCYQFKYFH-YOGAUUCDSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

853.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H76N2O7SSi
MW 853.30

Activity Summary

IC50 2 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.85 6.85 140.0 1
L929
CHEMBL612267
 IC50 6.03 6.03 940.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 140.0 nM 6.85 Inhibition of tobacco hornworm midgut vacuolar ATPase V1/V0 holoenzyme 17239591
L929 IC50 = 940.0 nM 6.03 Growth inhibition of mouse L929 cells by MTT assay 17239591

Literature References

PubMed DOI Target Context # Activities
17239591 10.1016/j.bmcl.2006.12.073 Unchecked 1
17239591 10.1016/j.bmcl.2006.12.073 L929 1

Data from ChEMBL 36 via Core Engine