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]
------------------------------------------------------------------------------------

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
TTD ID: D03IUD

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
Bacterial Penicillin binding protein (Bact PBP)	TTJP4SM	NOUNIPROTAC	Modulator	[3]

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

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.