Details of the Drug

General Information of Drug (ID: DMVVAL4)

Drug Name
R112
Indication
Disease Entry ICD 11 Status REF
Allergic rhinitis CA08.0 Investigative [1]
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C16H13FN4O2
Canonical SMILES
C1=CC(=CC(=C1)O)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)O
InChI
InChI=1S/C16H13FN4O2/c17-14-9-18-16(20-11-4-2-6-13(23)8-11)21-15(14)19-10-3-1-5-12(22)7-10/h1-9,22-23H,(H2,18,19,20,21)
InChIKey
TVKGTSHBQZEFEE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9904854
ChEBI ID
CHEMBL515271
TTD ID
D0L1PW
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug

References

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