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Compound Detail

CHEMBL188073

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Basic Information

ChEMBL ID CHEMBL188073
Phase Preclinical
Structure Type MOL
InChI Key QJWUYRKXIRMOHR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

144.2
MW (Da)
0.73
ALogP
3
HBA
1
HBD
38.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H12N2S
MW 144.24
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
15501067 10.1016/j.bmcl.2004.09.019 Nitric oxide synthase, inducible 2
15501067 10.1016/j.bmcl.2004.09.019 Nitric oxide synthase 1 1
15501067 10.1016/j.bmcl.2004.09.019 Nitric-oxide synthase (endothelial and brain) 1
15501067 10.1016/j.bmcl.2004.09.019 Nitric oxide synthase 3 1

Data from ChEMBL 36 via Core Engine