cefclidin   Click here for help

GtoPdb Ligand ID: 10771

Synonyms: cefclidine | E-1040 | E1040
Compound class: Synthetic organic
Comment: Cefclidin (E1040) is a fourth-generation cephalosporin antibacterial that disrupts cell wall formation [2-3]. It exhibits strong antibacterial activity against glucose non-fermentative bacillus bacteria, but is ineffective against gram-positive cocci.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 259.56
Molecular weight 550.14
XLogP -4.91
No. Lipinski's rules broken 1
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Canonical SMILES CO/N=C(/c1nsc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]12CCC(CC1)(CC2)C(=O)N
Isomeric SMILES CO/N=C(/c1nsc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]12CCC(CC1)(CC2)C(=O)N
InChI InChI=1S/C21H26N8O6S2/c1-35-26-11(14-25-20(23)37-27-14)15(30)24-12-16(31)28-13(18(32)33)10(9-36-17(12)28)8-29-5-2-21(3-6-29,4-7-29)19(22)34/h12,17H,2-9H2,1H3,(H5-,22,23,24,25,27,30,32,33,34)/b26-11-/t12-,17-,21?,29?/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6705 cefclidin
Synonyms Click here for help
cefclidine | E-1040 | E1040
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo Cefclidin, cefclidine, E1040
Other databases
CAS Registry No. 105239-91-6 (source: PubChem)
ChEMBL Ligand CHEMBL1614665
GtoPdb PubChem SID 405560212
PubChem CID 6537446
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UniChem Compound Search for chemical match using the InChIKey JUVHVMCKLDZLGN-TVNFHGJBSA-N
UniChem Connectivity Search for chemical match using the InChIKey JUVHVMCKLDZLGN-TVNFHGJBSA-N