Details of the Drug

General Information of Drug (ID: DMDCFXJ)

Drug Name

Vaborbactam

Synonyms

RPX-7009; 1360457-46-0; RPX7009; UNII-1C75676F8V; 2-((3R,6S)-2-hydroxy-3-(2-(thiophen-2-yl)acetamido)-1,2-oxaborinan-6-yl)acetic acid; CHEMBL3317857; 1C75676F8V; 2-[(3R,6S)-2-hydroxy-3-[(2-thiophen-2-ylacetyl)amino]oxaborinan-6-yl]acetic acid; Vaborbactam [INN]; RPX 7009; Vaborbactam. RPX7009; Vaborbactam (USAN/INN); Vaborbactam [USAN:INN]; SCHEMBL620289; GTPL10871; Vabomere (vaborbactam + meropenem); EX-A2589; BDBM50089084; MFCD28502176; AKOS032961376; CS-6445; DB12107; SB17184; 1,2-Oxaborinane-6-acetic acid, 2-hydroxy-3-((2-(2-thienyl)acetyl)amino)-, (3R,6S)-; compound 9f [PMID: 25782055]; NCGC00510003-01; HY-19930; 2-hydroxy-3-((2-(2-thienyl)acetyl)amino)-; D10998; Q27252228; {(3R,6S)-2-hydroxy-3-[(thiophen-2-ylacetyl)amino]-1,2-oxaborinan-6-yl}acetic acid; 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

Indication

Disease Entry	ICD 11	Status	REF
Urinary tract infection	GC08	Phase 3	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

297.14

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

ADMET Property

Absorption AUC: The area under the plot of plasma concentration (AUC) of drug is 588 mgh/L [2]
Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 55.6 mg/L [2]
Clearance: The renal clearance of drug is 8.9 L/h []
Elimination: About 75 to 95% of the dose is excreted unchanged in the urine over a 24 to 48 hour period []
Half-life: The concentration or amount of drug in body reduced by one-half in 1.68 hours (in healthy subjects following multiple 2 g dose adminutesistration as a 3 - hours infusion) []
Metabolism: The drug is not metabolised []
Unbound Fraction: The unbound fraction of drug in plasma is 0.67% [3]
Vd: The volume of distribution (Vd) of drug is 18.6 L []

Chemical Identifiers

Formula: C12H16BNO5S
IUPAC Name: 2-[(3R,6S)-2-hydroxy-3-[(2-thiophen-2-ylacetyl)amino]oxaborinan-6-yl]acetic acid
Canonical SMILES: B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)CC2=CC=CS2)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

Cross-matching ID

PubChem CID: 56649692
CAS Number: 1360457-46-0
DrugBank ID: DB12107
TTD ID: DR6BU1

Combinatorial Drugs (CBD)

Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Staphylococcus Beta-lactamase (Stap-coc blaZ)	TTHI19T	BLAC_STAAU	Inhibitor	[4]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT02166476) Efficacy/Safety of Meropenem-Vaborbactam Compared to Piperacillin-Tazobactam in Adults With cUTI and AP. U.S. National Institutes of Health.
2	Griffith DC, Loutit JS, Morgan EE, Durso S, Dudley MN: Phase 1 Study of the Safety, Tolerability, and Pharmacokinetics of the beta-Lactamase Inhibitor Vaborbactam (RPX7009) in Healthy Adult Subjects. Antimicrob Agents Chemother. 2016 Sep 23;60(10):6326-32. doi: 10.1128/AAC.00568-16. Print 2016 Oct.
3	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4	Vaborbactam: Spectrum of Beta-Lactamase Inhibition and Impact of Resistance Mechanisms on Activity in Enterobacteriaceae. Antimicrob Agents Chemother. 2017 Oct 24;61(11):e01443-17.