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Compound Detail

CHEMBL264950

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O=[N+]([O-])c1ccc(-c2cc[nH]n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL264950
Phase Preclinical
Structure Type MOL
InChI Key IPIYADCDDIUVPS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

189.2
MW (Da)
1.98
ALogP
3
HBA
1
HBD
71.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H7N3O2
MW 189.17
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -2.05

Literature References

PubMed DOI Target Context # Activities
18341273 10.1021/jm701509k Hematopoietic prostaglandin D synthase 1

Data from ChEMBL 36 via Core Engine