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Compound Detail

CHEMBL3581909

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O=C(OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1CSSC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3581909
Phase Preclinical
Structure Type MOL
InChI Key DQPWGAMQSBPQMW-WQXQQRIOSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
-1.66
ALogP
9
HBA
4
HBD
116.5
PSA (Ų)
0.36
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 C10H16O7S2
MW 312.37
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 2.24

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25922884 10.1021/acs.jnatprod.5b00092 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine