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Compound Detail

CHEMBL361049

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Basic Information

ChEMBL ID CHEMBL361049
Phase Preclinical
Structure Type MOL
InChI Key IXHBPEZYQPMRPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

113.2
MW (Da)
-0.66
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.44
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 C5H11N3
MW 113.16
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness 0.08

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 3 1
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

Data from ChEMBL 36 via Core Engine