Details of the Drug

General Information of Drug (ID: DMYGEH7)

Drug Name

Ceftolozane sulfate

Synonyms

Ceftolozane; CXA-101; CXA-301; CXA-301); Cephalosporin derivatives, Astellas; Cephalosporinderivatives, Calixa Therapeutics; FR-193879; FR-264205; FR-295389; CXA-101 (inhaled), Calixa; CXA-101 (inhaled), Cubist; Cephalosporin derivative (H pylori/P aeruginosa infection), Astellas; CXA-101 (inhaled, bacterial lung infection), Cubist

Indication

Disease Entry	ICD 11	Status	REF
Respiratory tract infection	CA45	Phase 4	[1]

Affected Organisms

Humans and other mammals

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
4

Molecular Weight

764.8

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 172 mgh/L []
Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 69.1 mg/L []
Clearance: The renal clearance of drug is 3.41-6.69 L/h [2]
Half-life: The concentration or amount of drug in body reduced by one-half in 2.77 hours []
Metabolism: The drug is not metabolised []
Vd: The volume of distribution (Vd) of drug is 13.5 L [2]

Chemical Identifiers

Formula: C23H32N12O12S3
IUPAC Name: (6R,7R)-3-[[3-amino-4-(2-aminoethylcarbamoylamino)-2-methylpyrazol-1-ium-1-yl]methyl]-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrogen sulfate
Canonical SMILES: CC(C)(C(=O)O)O/N=C(\\C1=NSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC(=C(N4C)N)NC(=O)NCCN)C(=O)O.OS(=O)(=O)[O-]
InChI: InChI=1S/C23H30N12O8S2.H2O4S/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24;1-5(2,3)4/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42);(H2,1,2,3,4)/b31-11+;/t12-,18-;/m1./s1
InChIKey: UJDQGRLTPBVSFN-GZGOMJRCSA-N

Cross-matching ID

PubChem CID: 11592969
UNII: 37A4IES95Q
DrugBank ID: DB09050
TTD ID: D03IUD

Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Penicillin binding protein (Bact PBP)	TTJP4SM	NOUNIPROTAC	Modulator	[3]

Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT02421120) Population Pharmacokinetics and Safety of Intravenous Ceftolozane/Tazobactam in Adult Cystic Fibrosis Patients. U.S. National Institutes of Health.
2	Hong MC, Hsu DI, Bounthavong M: Ceftolozane/tazobactam: a novel antipseudomonal cephalosporin and beta-lactamase-inhibitor combination. Infect Drug Resist. 2013 Nov 29;6:215-23. doi: 10.2147/IDR.S36140.
3	Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.