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CHEBI:173073 - PF-07304814

Default Structure
ChEBI IDCHEBI:173073
ChEBI NamePF-07304814
Stars
DefinitionAn indolecarboxamide resulting from the formal condensation of the carboxy group of 4-methoxy-1H-indole-2-carboxylic acid with the primary amino group of N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(phosphonooxy)butan-2-yl]-L-leucinamide. It is the phosphate prodrug of PF-00835231, an anticoronaviral agent.
Last Modified24 May 2021
SubmitterAdnan
DownloadsMolfile
FormulaC24H33N4O9P
Net Charge0
Average Mass552.521
Monoisotopic Mass552.19852
SMILES[H][C@@]1(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c(OC)cccc3n2)C(=O)COP(=O)(O)O)CCNC1=O
InChIInChI=1S/C24H33N4O9P/c1-13(2)9-18(28-24(32)19-11-15-16(26-19)5-4-6-21(15)36-3)23(31)27-17(10-14-7-8-25-22(14)30)20(29)12-37-38(33,34)35/h4-6,11,13-14,17-18,26H,7-10,12H2,1-3H3,(H,25,30)(H,27,31)(H,28,32)(H2,33,34,35)/t14-,17-,18-/m0/s1
InChIKeyFQKALOFOWPDTED-WBAXXEDZSA-N
Roles Classification
Biological Roles:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor  An EC 3.4.22.* (cysteine endopeptidase) inhibitor that interferes with the action of SARS coronavirus main proteinase (EC 3.4.22.69).
Application:
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
ChEBI Ontology
Outgoing Relation(s)
PF-07304814 (CHEBI:173073) has functional parent PF-00835231 (CHEBI:172918)
PF-07304814 (CHEBI:173073) has role anticoronaviral agent (CHEBI:149553)
PF-07304814 (CHEBI:173073) has role EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor (CHEBI:147285)
PF-07304814 (CHEBI:173073) has role prodrug (CHEBI:50266)
PF-07304814 (CHEBI:173073) is a L-leucine derivative (CHEBI:25018)
PF-07304814 (CHEBI:173073) is a aromatic ether (CHEBI:35618)
PF-07304814 (CHEBI:173073) is a indolecarboxamide (CHEBI:46921)
PF-07304814 (CHEBI:173073) is a phosphate monoester (CHEBI:7794)
PF-07304814 (CHEBI:173073) is a pyrrolidin-2-ones (CHEBI:74223)
PF-07304814 (CHEBI:173073) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
(3S)-3-({N-[(4-methoxy-1H-indol-2-yl)carbonyl]-L-leucyl}amino)-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl dihydrogen phosphate
Synonyms  Source
(3S)-3-{[(2S)-2-{[(4-methoxy-1H-indol-2-yl)carbonyl]amino}-4-methylpentanoyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl dihydrogen phosphateIUPAC
PF 07304814DrugBank
PF07304814DrugBank
Manual XrefsDatabases
DB16514DrugBank
Citations