meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate)

CHEBI:78039 ·resolve ·ANTIVIRAL ·EXACT SEEDED

An organosulfonate salt that is the tetrakis(p-toluenesulfonate) salt of meso-tetrakis(N-methyl-4-pyridyl)porphine. — ChEBI

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.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

Label unavailable CHEBI:64382

Chemical structure

Computed structure properties
Molecular formula	C44H38N8.4C7H7O3S
Charge	0
Average mass	1363.632 Da
Monoisotopic mass	1362.3683 Da
Source	ChEBI
InChIKey	AKZFRMNXBLFDNN-GVHKZQBISA-K

SMILES

C[n+]1ccc(-c2c3ccc(n3)c(-c3cc[n+](C)cc3)c3nc(c(-c4cc[n+](C)cc4)c4ccc(n4)c(-c4cc[n+](C)cc4)c4nc2C=C4)C=C3)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1

InChI

InChI=1S/C44H37N8.4C7H8O3S/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;4*1-6-2-4-7(5-3-6)11(8,9)10/h5-28H,1-4H3,(H,45,46,47,48);4*2-5H,1H3,(H,8,9,10)/q+3;;;;/p-3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;;

Also called

4,4',4'',4'''-porphyrin-5,10,15,20-tetrayltetrakis(1-methylpyridinium) tetrakis(4-methylbenzenesulfonate) (EXACT_SYNONYM)— chebi
5,10,15,20-tetrakis(N-methylpyridinium-4-yl)-21H,23H-porphine tetrakis(p-toluenesulfonate) (EXACT_SYNONYM)— chebi
TMPyP4 tetratosylate (EXACT_SYNONYM)— chebi
TMPyP4 tosylate (EXACT_SYNONYM)— chebi
meso-tetrakis(N-methyl-4-pyridyl)porphine tetratosylate salt (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

cas:36951-72-1
reaxys:5237096

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor CHEBI:59897

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
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:78039`	meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate)	`antibioticmech:chebi-6a22939dbc`	2026-08-30

Mechanism summary

Mode of action: VIRAL_POLYMERASE_INHIBITION host shared target — Assigned from ChEBI role CHEBI:59897 (EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor). ChEBI asserts the role on the compound. The target it names is one the host has too, so the mechanism is true but is not evidence of selectivity — see mode_of_action_target_scope. Not a curator's mechanistic review.

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
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 (YAML).

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