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Compound Detail

CHEMBL116544

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O=C(O)CC(O)(CSCCCCCCc1cccc(Cl)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL116544
Phase Preclinical
Structure Type MOL
InChI Key VNHFSRKVNYVZQK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.9
MW (Da)
3.47
ALogP
4
HBA
3
HBD
94.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23ClO5S
MW 374.89
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.07

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
8784456 10.1021/jm960167w ATP-citrate synthase 1

Data from ChEMBL 36 via Core Engine