SK&F 88070   Click here for help

GtoPdb Ligand ID: 11049

Synonyms: Skf 88070
Compound class: Synthetic organic
Comment: SK&F 88070 is a broad-spectrum, β-lactam (cephalosporin) antibacterial [2].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 15
Hydrogen bond donors 5
Rotatable bonds 13
Topological polar surface area 344.43
Molecular weight 620.03
XLogP -3.98
No. Lipinski's rules broken 2
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Canonical SMILES CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1CCNS(=O)(=O)O
Isomeric SMILES CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1CCNS(=O)(=O)O
InChI InChI=1S/C17H20N10O8S4/c1-35-23-9(8-6-37-16(18)20-8)12(28)21-10-13(29)27-11(15(30)31)7(4-36-14(10)27)5-38-17-22-24-25-26(17)3-2-19-39(32,33)34/h6,10,14,19H,2-5H2,1H3,(H2,18,20)(H,21,28)(H,30,31)(H,32,33,34)/b23-9-/t10-,14-/m1/s1
1. Gooch 3rd WM, Daly JA. (1985)
In vitro antibacterial activity of SK&F 88070 against aerobic gram-positive and gram-negative cocci and Haemophilus influenzae.
Antimicrob Agents Chemother, 28 (2): 343-6. [PMID:3879661]
2. Grappel SF, Phillips L, Dunn GL, Jakas DR, Pitkin D, Actor P. (1984)
Antimicrobial activity of SK&F 88070, an expanded-spectrum cephalosporin with high and prolonged levels in blood.
Antimicrob Agents Chemother, 25 (6): 694-700. [PMID:6742815]
3. Neu HC, Chin NX, Labthavikul P. (1986)
Antimicrobial activity and beta-lactamase stability of SK&F 88070 compared with other agents.
Diagn Microbiol Infect Dis, 4 (3): 223-30. [PMID:3485506]