80I
[(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Find entries where: 80I
is present as a standalone ligand in 11 entries
as a non-polymer is covalently linked to polymer or other heterogen groups 2 entries
Chemical Component Summary | |
|---|---|
| Name | [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate |
| Identifiers | [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butyl] dihydrogen phosphate |
| Formula | C24 H33 N4 O9 P |
| Molecular Weight | 552.514 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COP(=O)(O)O)NC(=O)c2cc3c([nH]2)cccc3OC |
| 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 |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 71 |
| Chiral Atom Count | 3 |
| Bond Count | 73 |
| Aromatic Bond Count | 10 |
Drug Info: DrugBank
| DrugBank ID | DB16514? |
|---|---|
| Name | PF-07304814 |
| Groups | investigational |
| Description | PF-07304814 is a small molecule prodrug that targets the 3CL<sup>pro</sup> protease (M<sup>pro)</sup>, which is used by viruses like SARS-CoV-2 to assemble and multiply[L31718]. Once administered through intravenous infusion, the compound is cleaved into PF-00835231 to exert its anti-viral effects[L31718]. PF-07304814, developed by Pfizer, was first identified during the SARS outbreak in 2002-2003; it was subsequently shelved as the outbreak was controlled[L31728]. Now, it is being tested regarding the novel SARS-CoV-2 virus, including studies in conjunction with [Remdesivir] to treat COVID-19 infection; in vitro data showed synergistic effects on articles published on preprint servers[L31733, L31125]. Phase 1b studies are also exploring the safety and tolerability of PF-07304814 in COVID-19 patients who are hospitalized (NCT04535167). |
| Synonyms | PF-07304814 |
| Categories |
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Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Replicase polyprotein 1ab | MESLVPGFNEKTHVQLSLPVLQVRDVLVRGFGDSVEEVLSEARQHLKDGT... | unknown | inhibitor |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 154699467 |
| ChEMBL | CHEMBL4802214 |
| ChEBI | CHEBI:173073 |
