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Compound Detail

CHEMBL1627232

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C[S+](=N)([O-])C[C@@](O)(CC(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1627232
Phase Preclinical
Structure Type MOL
InChI Key PSCDTFAJGFDXAO-TZKMECQKSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

225.2
MW (Da)
-1.05
ALogP
5
HBA
4
HBD
141.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H11NO6S
MW 225.22
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.79

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
1479587 10.1021/jm00104a014 ATP-citrate synthase 6
21726077 10.1021/jm2005805 ATP-citrate synthase 1

Data from ChEMBL 36 via Core Engine