AntibioticMech

TNP-2198

antibioticmech:aro-4bf8cc8c16 ·ANTIBACTERIAL ·MINTED SEEDED

TNP-2198 is an experimental rifamycin-nitroimidazole conjugate currently in development for treatment of several bacterial infections. It exhibits greater activity than rifamycin and nitroimidazole antibiotics administered together and is effective against bacteria resistant to both drug classes. — PMID:35175750

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Chemical structure

Computed structure properties
Molecular formulaC48H61N7O13
Charge0
Average mass944.0 Da
Monoisotopic mass943.43273503 Da
SourcePubChem · retrieved 2026-08-29
InChIKeyOZUTUJQHZGJOKZ-AIGATTFSSA-N

SMILES

C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=NC6(CCN(CC6)CCN7C(=NC=C7[N+](=O)[O-])C)N=C25)O)/C

InChI

InChI=1S/C48H61N7O13/c1-23-12-11-13-24(2)46(62)50-38-37-36(51-48(52-37)15-17-53(18-16-48)19-20-54-29(7)49-22-32(54)55(63)64)33-34(42(38)60)41(59)28(6)44-35(33)45(61)47(9,68-44)66-21-14-31(65-10)25(3)43(67-30(8)56)27(5)40(58)26(4)39(23)57/h11-14,21-23,25-27,31,39-40,43,57-60H,15-20H2,1-10H3,(H,50,62)/b12-11+,21-14+,24-13-/t23-,25+,26+,27+,31-,39-,40+,43+,47-/m0/s1

Cross-references

Equivalent identifiers for this same structure in other resources.

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
SourceNative IDLabelMinted CURIEVersion
ARO ARO:3007176 TNP-2198 antibioticmech:aro-4bf8cc8c16 2026-08-30

Curation history

  1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

    Seeded from data/raw/ inventories (ARO)

  2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

    Re-seeded from updated data/raw/ inventories

  3. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

    Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.