Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H22N4O5 |
| Molecular Weight | 422.4339 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CN=C(OC)C2=C1C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChIKey=DBPMWRYLTBNCCE-UHFFFAOYSA-N
InChI=1S/C22H22N4O5/c1-30-16-13-24-20(31-2)18-17(16)15(12-23-18)19(27)22(29)26-10-8-25(9-11-26)21(28)14-6-4-3-5-7-14/h3-7,12-13,23H,8-11H2,1-2H3
| Molecular Formula | C22H22N4O5 |
| Molecular Weight | 422.4339 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Inhibitors of HIV-1 attachment. Part 11: the discovery and structure-activity relationships associated with 4,6-diazaindole cores. | 2013-01-01 |
|
| Inhibitors of HIV-1 attachment. Part 7: indole-7-carboxamides as potent and orally bioavailable antiviral agents. | 2013-01-01 |
|
| In vitro antiviral characteristics of HIV-1 attachment inhibitor BMS-626529, the active component of the prodrug BMS-663068. | 2012-07 |
|
| Protection against HIV-envelope-induced neuronal cell destruction by HIV attachment inhibitors. | 2010-05 |
|
| Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 5. An evolution from indole to azaindoles leading to the discovery of 1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (BMS-488043), a drug candidate that demonstrates antiviral activity in HIV-1-infected subjects. | 2009-12-10 |
|
| Heterobiaryl human immunodeficiency virus entry inhibitors. | 2009-07-23 |
|
| Design and synthesis of human immunodeficiency virus entry inhibitors: sulfonamide as an isostere for the alpha-ketoamide group. | 2007-12-27 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:37:45 GMT 2025
by
admin
on
Mon Mar 31 18:37:45 GMT 2025
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| Record UNII |
MKS21EJ435
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| Record Status |
Validated (UNII)
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| Record Version |
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MKS21EJ435
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507806
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DB05532
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452296-83-2
Created by
admin on Mon Mar 31 18:37:45 GMT 2025 , Edited by admin on Mon Mar 31 18:37:45 GMT 2025
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| Related Record | Type | Details | ||
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PRODRUG -> METABOLITE ACTIVE |
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ACTIVE MOIETY |
