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A 1,4-benzodiazepinone that is nordazepam in which the phenyl substituent has been replaced by a 1H-pyrrol-2-yl group.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.
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
Equivalent identifiers for this same structure in other resources.
- cas:30195-30-3
- lincs.smallmolecule:LSM-2426
- patent:DE2017060
- reaxys:617385
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
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
Provenance
Seeded by scripts/seed_from_sources.py from the committed
inventories in data/raw/.
View the record.