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Compound Detail

CHEMBL157846

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CC(=N)NCCS(=O)(=O)CCC(N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL157846
Phase Preclinical
Structure Type MOL
InChI Key PYEUMXNYKBZUOL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
-1.21
ALogP
5
HBA
4
HBD
133.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H17N3O4S
MW 251.31
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.46

Literature References

PubMed DOI Target Context # Activities
10741561 10.1016/s0960-894x(00)00055-x Nitric oxide synthase, inducible 1
10741561 10.1016/s0960-894x(00)00055-x Nitric oxide synthase 3 1
10741561 10.1016/s0960-894x(00)00055-x Nitric oxide synthase 1 1

Data from ChEMBL 36 via Core Engine