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
Logarithm of the Partition Coefficient (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
PubChem CID
6328657
CAS Number
80370-57-6
UNII
83JL932I1C
DrugBank ID
DB11485
TTD ID
D0V7OH
INTEDE ID
DR2660
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
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.