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Compound Detail

CHEMBL120603

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NS(=O)(=O)c1ccc(CCCCCCSCC(O)(CC(=O)O)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL120603
Phase Preclinical
Structure Type MOL
InChI Key MPHXPDXNAUJKBA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
1.46
ALogP
6
HBA
4
HBD
155.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25NO7S2
MW 419.52
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.17

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