SCH-79797

CHEBI:94998 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A member of the class of pyrroloquinazolines that is 7H-pyrrolo[3,2-f]quinazoline substituted by amino, cyclopropylamino, and 4-(propan-2-yl)benzyl groups at positions 1, 3 and 7, respectively. It is a PAR1 antagonist. — 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.

CHEBI:231697 CHEBI:231697
CHEBI:50995 CHEBI:50995
CHEBI:50996 CHEBI:50996
CHEBI:51454 CHEBI:51454

Chemical structure

Computed structure properties
Molecular formula	C23H25N5
Charge	0
Average mass	371.488 Da
Monoisotopic mass	371.211 Da
Source	ChEBI
InChIKey	AVXQPEKZIGPIJW-UHFFFAOYSA-N

SMILES

CC(C)c1ccc(Cn2ccc3c4c(N)nc(NC5CC5)nc4ccc32)cc1

InChI

InChI=1S/C23H25N5/c1-14(2)16-5-3-15(4-6-16)13-28-12-11-18-20(28)10-9-19-21(18)22(24)27-23(26-19)25-17-7-8-17/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H3,24,25,26,27)

Also called

N3-cyclopropyl-7-[4-(propan-2-yl)benzyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine (EXACT_SYNONYM)— chebi
SCH 79797 (EXACT_SYNONYM)— chebi
SCH79797 (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:245520-69-8
lincs.smallmolecule:LSM-6224
wikipedia.en:SCH-79797

Activity roles

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

CHEBI:33282 CHEBI:33282

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:94998`	SCH-79797	`antibioticmech:chebi-0ce8da3c5a`	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.