4D6
Vaborbactam
Find entries where: 4D6
is present as a standalone ligand in 3 entries
as a non-polymer is covalently linked to polymer or other heterogen groups 9 entries
Chemical Component Summary | |
|---|---|
| Name | Vaborbactam |
| Synonyms | 2-((3R,6S)-2-hydroxy-3-(2-(thiophen-2-yl)acetamido)-1,2-oxaborinan-6-yl)acetic acid; 2-[(3R,6S)-2-hydroxy-3-[(2-thiophen-2-ylacetyl)amino]oxaborinan-6-yl]acetic acid; 1,2-Oxaborinane-6-acetic acid, 2-hydroxy-3-((2-(2-thienyl)acetyl)amino)-, (3R,6S)-; 56649692; CHEMBL3317857; {(3R,6S)-2-hydroxy-3-[(thiophen-2-ylacetyl)amino]-1,2-oxaborinan-6-yl}acetic acid; DB12107 |
| Identifiers | 2-[(3R,6S)-2-oxidanyl-3-(2-thiophen-2-ylethanoylamino)-1,2-oxaborinan-6-yl]ethanoic acid |
| Formula | C12 H16 B N O5 S |
| Molecular Weight | 297.135 |
| Type | NON-POLYMER |
| Isomeric SMILES | B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)O |
| InChI | InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1 |
| InChIKey | IOOWNWLVCOUUEX-WPRPVWTQSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 36 |
| Chiral Atom Count | 2 |
| Bond Count | 37 |
| Aromatic Bond Count | 5 |
Drug Info: DrugBank
| DrugBank ID | DB12107? |
|---|---|
| Name | Vaborbactam |
| Groups |
|
| Description | Vaborbactam is a ¦Â-lactamase inhibitor based on a cyclic boronic acid pharmacophore.[A32053] It has been used in trials investigating the treatment of bacterial infections in subjects with varying degrees of renal insufficiency. In August 2017, a combination antibacterial therapy under the market name Vabomere was approved by the FDA for the treatment of adult patients with complicated urinary tract infections (cUTI). Vabomere consists of vaborbactam and [Meropenem] for intravenous administration. Vaborbactam is added to the therapy to reduce the extent meropenem degradation by inhibiting the serine beta-lactamases expressed by the microorganism of target.[Label] The treatment aims to resolve infection-related symptoms of cUTI and achieve negative urine culture, when the infections are proven or strongly suspected to be caused by susceptible bacteria. |
| Synonyms | Vaborbactam |
| Brand Names |
|
| Indication | Indicated in combination with meropenem for the treatment of patients 18 years of age and older with complicated urinary tract infections (cUTI) including pyelonephritis caused by the following susceptible microorganisms: _Escherichia coli_, _Klebsiella pneumoniae_, and _Enterobacter cloacae_ species complex.[FDA Label] |
| Categories |
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| ATC-Code | J01DH52 |
| CAS number | 1360457-46-0 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Beta-lactamase | MMRKSLCCALLLGISCSALATPVSEKQLAEVVANTITPLMKAQSVPGMAV... | unknown | inhibitor |
| Carbapenem-hydrolyzing beta-lactamase KPC | MSLYRRLVLLSCLSWPLAGFSATALTNLVAEPFAKLEQDFGGSIGVYAMD... | unknown | inhibitor |
| Beta-lactamase (KPC-2) | MSLYRRLVLLSCLSWPLAGFSATALTNLVAEPFAKLEQDFGGSIGVYAMD... | unknown | inhibitor |
| Beta-lactamase CTX-M | MVTKRVQRMMFAAAACIPLLLGSAPLYAQTSAVQQKLAALEKSSGGRLGV... | unknown | inhibitor |
| Beta-lactamase (blaSHV) | GLTAFLRQIGDNVTRLDRWETELNEALPGDARDTTTPASMAATLRKLLTS... | unknown | inhibitor |
| View More | |||
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 | 56649692 |
| ChEMBL | CHEMBL3317857 |
