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Compound Detail

CHEMBL331020

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O=C(O)CC(O)(CSCCCCCCc1ccc(O)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL331020
Phase Preclinical
Structure Type MOL
InChI Key HVWUYSRTZMPCPD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
2.52
ALogP
5
HBA
4
HBD
115.1
PSA (Ų)
0.43
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 C17H24O6S
MW 356.44
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.54

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