TRIGONELLAMIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: UM47085BXC

Structure
InChI Key LDHMAVIPBRSVRG-UHFFFAOYSA-O
Smile C[n+]1cccc(C(N)=O)c1
InChI
InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9N2O+
Molecular Weight 137.16
AlogP -0.39
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 46.97
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 10.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hyperlipidemias 2 D006949 ClinicalTrials

Cross References

Resources Reference
ChEBI 16797
ChEMBL CHEMBL71733
DrugBank DB11710
EPA CompTox DTXSID10185019
FDA SRS UM47085BXC
Human Metabolome Database HMDB0000699
Guide to Pharmacology 4658
KEGG C02918
PDB 8GC
PubChem 457
SureChEMBL SCHEMBL132244
ZINC ZINC000000155368
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