Details of the Drug

General Information of Drug (ID: DMR2SOZ)

Drug Name

Ceftiofur

Synonyms

Excede (TN)

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Approved	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

523.6

Topological Polar Surface Area (xlogp)

0.2

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

13

Chemical Identifiers

Formula: C19H17N5O7S3
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Canonical SMILES: CO/N=C(/C1=CSC(=N1)N)\\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)O
InChI: InChI=1S/C19H17N5O7S3/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28)/b23-11-/t12-,16-/m1/s1
InChIKey: ZBHXIWJRIFEVQY-IHMPYVIRSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Beta-lactamase (blaB)	DENZLGX	A0A498U5Y1_BACPU	Substrate	[2], [3]
Beta-lactamase (blaB)	DE3FVRW	BLA2_BAC17	Substrate	[4], [2]
Beta-lactamase (blaB)	DEYM2D3	B7C8I6_9FIRM	Substrate	[5], [6]
Beta-lactamase (blaB)	DE9ZQ3L	A0A3C0E2M8_9BACE	Substrate	[5]
Beta-lactamase (blaB)	DE69OXF	A0A1S8TSZ5_9CLOT	Substrate	[5]
Beta-lactamase (blaB)	DEPYGS9	A0A0L0LVQ7_BIFBR	Substrate	[5], [7]
Beta-lactamase (blaB)	DEPGFHV	A0A316SS50_9PROT	Substrate	[2], [8]
Beta-lactamase (blaB)	DEZAQPD	A0A1Q2YQ29_9PROT	Substrate	[2], [9]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Isolation of bacterial strains from bovine fecal microflora capable of degradation of ceftiofur. Vet Microbiol. 2009 Oct 20;139(1-2):89-96.
3	MALDI-TOF identification of the human Gut microbiome in people with and without diarrhea in Senegal. PLoS One. 2014 May 1;9(5):e87419.
4	The bacterial degradation of chloramphenico. Lancet. 1967 Jun 10;1(7502):1259-60.
5	Bovine intestinal bacteria inactivate and degrade ceftiofur and ceftriaxone with multiple beta-lactamases. Antimicrob Agents Chemother. 2011 Nov;55(11):4990-8.
6	Daily HIV pre-exposure prophylaxis (PrEP) with tenofovir disoproxil fumarate-emtricitabine reduced Streptococcus and increased Erysipelotrichaceae in rectal microbiota. Sci Rep. 2018 Oct 12;8(1):15212.
7	Characterization and induction of prophages in human gut-associated Bifidobacterium hosts. Sci Rep. 2018 Aug 24;8(1):12772.
8	Granulomatous infection of the hand and wrist due to Azospirillum spp. Diagn Microbiol Infect Dis. 2013 Aug;76(4):513-5.
9	Skin microbiota is the main reservoir of Roseomonas mucosa, an emerging opportunistic pathogen so far assumed to be environmental. Clin Microbiol Infect. 2016 Aug;22(8):737.e1-7.
10	Beta-lactamase production and antimicrobial susceptibility of subgingival bacteria from refractory periodontitis. Oral Microbiol Immunol. 2004 Oct;19(5):303-8.