CHEBI:173073 - PF-07304814

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ChEBI Name PF-07304814
ChEBI ID CHEBI:173073
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H33N4O9P
Net Charge 0
Average Mass 552.521
Monoisotopic Mass 552.19852
InChI InChI=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
InChIKey FQKALOFOWPDTED-WBAXXEDZSA-N
SMILES [H][C@@]1(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C2=CC3=C(N2)C=CC=C3OC)C(=O)COP(O)(O)=O)CCNC1=O
Roles Classification
Biological Role(s): 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).
anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
Application(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
(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 phosphate IUPAC
PF 07304814 DrugBank
PF07304814 DrugBank
Manual Xref Database
DB16514 DrugBank
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Citations Waiting for Citations Types Sources
32935104 PubMed citation Europe PMC
PMC8075814 PubMed Central citation Europe PMC
Last Modified
24 May 2021