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Compound Detail

CHEMBL4745350

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CS(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccc(O)cc3O)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4745350
Phase Preclinical
Structure Type MOL
InChI Key RSPDRFFXLZHOHV-GIJQJNRQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
3.07
ALogP
8
HBA
3
HBD
111.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N3O4S2
MW 389.46
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
33071054 10.1016/j.ejmech.2020.112918 Prostaglandin G/H synthase 1 3
33071054 10.1016/j.ejmech.2020.112918 Prostaglandin G/H synthase 2 3
33071054 10.1016/j.ejmech.2020.112918 COX-1/COX-2 1

Data from ChEMBL 36 via Core Engine