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Compound Detail

CHEMBL4165330

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CS(=O)(=O)c1ccc(NC(=O)NNC(=S)NCCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4165330
Phase Preclinical
Structure Type MOL
InChI Key XTKLRCZWYFWPOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
1.83
ALogP
4
HBA
4
HBD
99.3
PSA (Ų)
0.46
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 C17H20N4O3S2
MW 392.51
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.01

Literature References

PubMed DOI Target Context # Activities
29655084 10.1016/j.ejmech.2018.04.007 Prostaglandin G/H synthase 2 2
29655084 10.1016/j.ejmech.2018.04.007 Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine