Details of the Drug

General Information of Drug (ID: DMYNPK8)

Drug Name
Hexylcarbamoyl fluorouracil
Synonyms Carmofur; HCFU; Yamaful; 1-hexylcarbamoyl-5-fluorouracil
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Withdrawn from market [1]
Coronavirus Disease 2019 (COVID-19) 1D6Y Investigative [2]
ATC Code
L01BC04: Hexylcarbamoyl fluorouracil
L01BC: Pyrimidine analogues
L01B: ANTIMETABOLITES
L01: ANTINEOPLASTIC AGENTS
L: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C11H16FN3O3
Canonical SMILES
CCCCCCNC(=O)N1C=C(C(=O)NC1=O)F
InChI
1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
InChIKey
AOCCBINRVIKJHY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2577
ChEBI ID
CHEBI:31360
CAS Number
61422-45-5
UNII
HA82M3RAB2
DrugBank ID
DB09010
TTD ID
D00IKH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
COVID-19 papain-like proteinase (PL-PRO) TTNHMO8 R1AB_SARS2 (819-2763) Inhibitor [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cellular tumor antigen p53 (TP53) OTIE1VH3 P53_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Structure of Mpro from COVID-19 virus and discovery of its inhibitors. Nature. 2020 Apr 9.
3 Identification of environmental chemicals that activate p53 signaling after in vitro metabolic activation. Arch Toxicol. 2022 Jul;96(7):1975-1987. doi: 10.1007/s00204-022-03291-5. Epub 2022 Apr 18.