Details of the Drug

General Information of Drug (ID: DMF36K7)

Drug Name
Leonurine
Synonyms SCM-198
Indication
Disease Entry ICD 11 Status REF
Ischemic heart disease BA40-BA6Z Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C14H21N3O5
Canonical SMILES
COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N
InChI
InChI=1S/C14H21N3O5/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17)
InChIKey
WNGSUWLDMZFYNZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
161464
ChEBI ID
CHEMBL80843
CAS Number
24697-74-3
TTD ID
D08KHD
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

References

1 The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.