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Compound Detail

CHEMBL1334769

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O=S(=O)(c1cccc(Cl)c1)N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1334769
Phase Preclinical
Structure Type MOL
InChI Key ZNZXPUJFWPBWFF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

245.7
MW (Da)
2.12
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12ClNO2S
MW 245.73
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -2.45

Literature References

PubMed DOI Target Context # Activities
27887842 10.1016/j.bmcl.2016.11.035 Mus musculus 3
27887842 10.1016/j.bmcl.2016.11.035 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine