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Compound Detail

CHEMBL4216501

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NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4216501
Phase Preclinical
Structure Type MOL
InChI Key FWIFKKUOURUDNG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
-0.69
ALogP
5
HBA
2
HBD
101.7
PSA (Ų)
0.43
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 C11H15N3O4S
MW 285.32
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -2.43

Literature References

PubMed DOI Target Context # Activities
29475156 10.1016/j.ejmech.2018.02.033 EC9706 1
29475156 10.1016/j.ejmech.2018.02.033 ECa-109 cell line 1

Data from ChEMBL 36 via Core Engine