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Compound Detail

CHEMBL3338716

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CC1=N[C@H]2[C@H](O[C@H](CO)C[C@@H]2O)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3338716
Phase Preclinical
Structure Type MOL
InChI Key GGCKYFOMLXFXBX-RULNZFCNSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

203.3
MW (Da)
-0.01
ALogP
5
HBA
2
HBD
62.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H13NO3S
MW 203.26
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.16

Activity Summary

Ki 3 meas.

Literature References

PubMed DOI Target Context # Activities
25442323 10.1016/j.bmcl.2014.09.066 Unchecked 3

Data from ChEMBL 36 via Core Engine