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Compound Detail

CHEMBL5592794

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CN(C)c1ccc(-c2cc(C(=O)NC/C=C/S(C)(=O)=O)n[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5592794
Phase Preclinical
Structure Type MOL
InChI Key IYBKGBHMPQGAJZ-ONNFQVAWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
1.43
ALogP
5
HBA
2
HBD
95.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N4O3S
MW 348.43
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.13

Activity Summary

Ki 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyprotein P1234
CHEMBL4295622
 Ki 6.1 6.1 794.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyprotein P1234 Ki = 794.33 nM 6.1 Binding affinity to 6his-tagged CHIKV nsP2 (1009 to 1329 residues) extracted fro... 39235978

Literature References

PubMed DOI Target Context # Activities
39235978 10.1021/acs.jmedchem.4c01346 Polyprotein P1234 2

Data from ChEMBL 36 via Core Engine