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Compound Detail

CHEMBL1767349

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O=C(O)[C@@H]1CSC(c2ccco2)N1C(=O)CCl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1767349
Phase Preclinical
Structure Type MOL
InChI Key YMMOCIFRYUNLSZ-AADKRJSRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

275.7
MW (Da)
1.55
ALogP
4
HBA
1
HBD
70.8
PSA (Ų)
0.85
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 C10H10ClNO4S
MW 275.71
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuraminidase
CHEMBL6135
 IC50 4.89 4.89 12900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuraminidase IC50 = 12900.0 nM 4.89 Inhibition of influenza A virus neuraminidase assessed as cleavage of MUNANA sub... 21382719

Literature References

PubMed DOI Target Context # Activities
21382719 10.1016/j.bmc.2011.02.019 Neuraminidase 1

Data from ChEMBL 36 via Core Engine