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Compound Detail

CHEMBL120378

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O=C(O)CC(O)(CSCCCCC[S+]([O-])c1ccc(Cl)cc1Cl)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL120378
Phase Preclinical
Structure Type MOL
InChI Key POIIQGILWYWXHQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.4
MW (Da)
3.29
ALogP
5
HBA
3
HBD
117.9
PSA (Ų)
0.34
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 C16H20Cl2O6S2
MW 443.37
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.04

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