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Compound Detail

CHEMBL101266

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Oc1nc2cc(F)ccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL101266
Phase Preclinical
Structure Type MOL
InChI Key KXMRAGBOYTUYGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

153.1
MW (Da)
1.67
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.63
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 C7H4FNO2
MW 153.11
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -1.82

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10101-9 Nitric oxide synthase, inducible 1
- 10.1016/S0960-894X(97)10101-9 Nitric oxide synthase 3 1
- 10.1016/S0960-894X(97)10101-9 Nitric oxide synthase 1 1

Data from ChEMBL 36 via Core Engine