Compound ID | 1221

Cefepime/VNRX-5133

Class: Beta-lactamase inhibitor (broad spectrum)

Spectrum of activity: Gram-negative
Details of activity: multi-drug resistant (MDR) gram-negative bacterial infections, including Carbapenem-resistant Enterobacteriaceae (CRE) and Carbapenem-resistant Pseudomonas aeruginosa(CRPA).
Institute where first reported: VenatoRx Pharmaceuticals
Highest developmental phase: Phase 2
Development status: Active
Chemical structure(s):
VNRX-5133
Canonical SMILES: C1=CC(=C2C(=C1)C[C@H](B(O)O2)NC(=O)CC3CCC(CC3)NCCN)C(=O)O
Isomeric SMILES: B1([C@@H](CC2=C(O1)C(=CC=C2)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)O
InChI: InChI=1S/C19H28BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)28-20(16)27/h1-3,12,14,16,22,27H,4-11,21H2,(H,23,24)(H,25,26)/t12?,14?,16-/m1/s1
InChI Key: PFZUWUXKQPRWAL-LDZOIKDWSA-N
Cefepime
Canonical SMILES: C[N+]1(CCCC1)CC2=C(C(=O)[O-])N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N
Isomeric SMILES: C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-]
InChI: InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1
InChI Key: HVFLCNVBZFFHBT-ZKDACBOMSA-N
External links:
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/90205317
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/5479537
Guide to Pharmacology: cefepime
Main Source: https://www.venatorx.com/pipeline/

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