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Compound Detail

CHEMBL1645364

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CC1(C)[C@H](C(=O)[O-])N2C(=O)[C@@H](CC(=O)NO)[C@H]2S1(=O)=O.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1645364
Phase Preclinical
Structure Type MOL
InChI Key AXOFTDAHYITYHZ-PGPOWMLISA-M
Parent Compound CHEMBL1741064
Active Moiety CHEMBL1741064
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
-1.67
ALogP
6
HBA
3
HBD
141.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13N2NaO7S
MW 328.28
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.30

Literature References

PubMed DOI Target Context # Activities
21129961 10.1016/j.bmcl.2010.10.134 Unchecked 2

Data from ChEMBL 36 via Core Engine