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Compound Detail

CHEMBL1778338

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CCSC[C@H](NC(C)=O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1778338
Phase Preclinical
Structure Type MOL
InChI Key BSVHABSINROVJJ-LURJTMIESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

191.2
MW (Da)
0.33
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.66
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 C7H13NO3S
MW 191.25
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness -0.19

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
21571536 10.1016/j.bmc.2011.04.045 Solute carrier family 22 member 6 1

Data from ChEMBL 36 via Core Engine