Ro 5-3335

CHEBI:131785 ·resolve ·ANTIVIRAL ·EXACT SEEDED

A 1,4-benzodiazepinone that is nordazepam in which the phenyl substituent has been replaced by a 1H-pyrrol-2-yl group. It inhibits gene expression in HIV-1 at the transcriptional level through interference with Tat-mediated transactivation. — 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:26455
Label unavailable CHEBI:35500
Label unavailable CHEBI:36683

Chemical structure

Computed structure properties
Molecular formula	C13H10ClN3O
Charge	0
Average mass	259.696 Da
Monoisotopic mass	259.05124 Da
Source	ChEBI
InChIKey	XWNMORIHKRROGW-UHFFFAOYSA-N

SMILES

O=C1CN=C(c2cccn2)c2cc(Cl)ccc2N1

InChI

InChI=1S/C13H10ClN3O/c14-8-3-4-10-9(6-8)13(11-2-1-5-15-11)16-7-12(18)17-10/h1-6,15H,7H2,(H,17,18)

Also called

7-chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one (EXACT_SYNONYM)— chebi
7-chloro-5-(2-pyrryl)-3H-1,4-benzodiazepin-2(H)-one (EXACT_SYNONYM)— chebi
CBFβ-Runx1 inhibitor II (EXACT_SYNONYM)— chebi
Ro-5-3335 (EXACT_SYNONYM)— chebi
Ro5-3335 (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.

Patents and articles

Documents about this compound. A patent covers a class and an article covers a topic; neither identifies a structure.

patent:DE2017060

Activity roles

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

anti-HIV-1 agent CHEBI:64947

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:131785`	Ro 5-3335	`antibioticmech:chebi-0f8c761c75`	2026-08-30

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
RESEEDED_FROM_SOURCES 2026-09-10 · 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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