Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: AE82Z8U4GJ

Structure

InChI Key NKWCGTOZTHZDHB-UHFFFAOYSA-N
Smile O=C(O)c1c[nH]cn1
InChI
InChI=1S/C4H4N2O2/c7-4(8)3-1-5-2-6-3/h1-2H,(H,5,6)(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4N2O2
Molecular Weight 112.09
AlogP 0.11
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 65.98
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 8.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Dermatitis, Atopic 2 D003876 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1773943
DrugBank DB16194
EPA CompTox DTXSID00147949
FDA SRS AE82Z8U4GJ
SureChEMBL SCHEMBL70915
ZINC ZINC000004720641