Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C16H12FN3O3 |
| Molecular Weight | 313.2832 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O\C(=C/C(=O)C1=CC=C(CC2=CC=C(F)C=C2)O1)C3=NNC=N3
InChI
InChIKey=HFHDGHOGHWXXDT-ZSOIEALJSA-N
InChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,8-9,22H,7H2,(H,18,19,20)/b14-8-
| Molecular Formula | C16H12FN3O3 |
| Molecular Weight | 313.2832 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
GW-810781 (wider known as S-1360) was initially developed by GlaxoSmithKline as HIV integrase inhibitor. GW-810781 was well-tolerated and showed acceptable pharmacokinetic profiles that is why it was studied in phase II clinical trials as a potential treatment for HIV infection. However, the development of the drug was discontinued in July 2003.
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| A platform for designing HIV integrase inhibitors. Part 1: 2-hydroxy-3-heteroaryl acrylic acid derivatives as novel HIV integrase inhibitor and modeling of hydrophilic and hydrophobic pharmacophores. | 2006 Dec 15 |
|
| HIV integrase inhibitors with nucleobase scaffolds: discovery of a highly potent anti-HIV agent. | 2006 Jan 26 |
|
| Dihydroxythiophenes are novel potent inhibitors of human immunodeficiency virus integrase with a diketo acid-like pharmacophore. | 2006 Jul |
|
| Synthesis and biological evaluation of novel 5(H)-phenanthridin-6-ones, 5(H)-phenanthridin-6-one diketo acid, and polycyclic aromatic diketo acid analogs as new HIV-1 integrase inhibitors. | 2007 Feb 1 |
|
| Potent inhibitors of HIV-1 integrase display a two-step, slow-binding inhibition mechanism which is absent in a drug-resistant T66I/M154I mutant. | 2009 Feb 24 |
|
| HIV-1 IN strand transfer chelating inhibitors: a focus on metal binding. | 2011 Apr 4 |
|
| Synthesis, docking, and biological studies of phenanthrene β-diketo acids as novel HIV-1 integrase inhibitors. | 2013 Nov 15 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:54:44 GMT 2023
by
admin
on
Fri Dec 15 15:54:44 GMT 2023
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| Record UNII |
W7KQU075CV
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| Record Status |
Validated (UNII)
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280571-30-4
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(Z)-1-(5-(4-FLUOROBENZYL)FURAN-2-YL)-3-HYDROXY-3-(1H-1,2,4-TRIAZOL-3-YL)-PROPENONE
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100000167469
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SUB181661
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W7KQU075CV
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6451047
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ACTIVE MOIETY |
