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Compound Detail

CHEMBL1946205

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O=C(Cn1cccc1)c1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1946205
Phase Preclinical
Structure Type MOL
InChI Key ILLXDTISBBMYGM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

230.2
MW (Da)
2.28
ALogP
4
HBA
0
HBD
65.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N2O3
MW 230.22
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.46

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
22280820 10.1016/j.ejmech.2012.01.002 Nitric oxide synthase, inducible 1
22280820 10.1016/j.ejmech.2012.01.002 Nitric oxide synthase 3 1
22280820 10.1016/j.ejmech.2012.01.002 Nitric oxide synthase 1 1

Data from ChEMBL 36 via Core Engine