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Compound Detail

CHEMBL1765513

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O=C(N[C@@H](Cc1ccccc1)CS(=O)(=O)F)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1765513
Phase Preclinical
Structure Type MOL
InChI Key CMGVWQTVBPNDPM-INIZCTEOSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
2.82
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18FNO4S
MW 351.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.41

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
21421320 10.1016/j.bmc.2011.02.014 Unchecked 3
21421320 10.1016/j.bmc.2011.02.014 Papain 1

Data from ChEMBL 36 via Core Engine