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Compound Detail

CHEMBL16076

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Fc1ccc2[nH]ncc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16076
Phase Preclinical
Structure Type MOL
InChI Key LIWIWTHSKJBYDW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

136.1
MW (Da)
1.70
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.59
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 C7H5FN2
MW 136.13
Aromatic Rings 2
Heavy Atoms 10
NP-Likeness -2.62

Literature References

PubMed DOI Target Context # Activities
17395463 10.1016/j.bmcl.2007.03.024 Nitric oxide synthase 1 2
11354365 10.1016/s0960-894x(01)00156-1 Nitric oxide synthase 1 1

Data from ChEMBL 36 via Core Engine