nilotinib

CHEBI:52172 ·resolve ·ANTIVIRAL ·EXACT SEEDED

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:140325 CHEBI:140325
CHEBI:24780 CHEBI:24780
CHEBI:26421 CHEBI:26421
CHEBI:39447 CHEBI:39447
CHEBI:50995 CHEBI:50995
CHEBI:83565 CHEBI:83565

Chemical structure

Computed structure properties
Molecular formula	C28H22F3N7O
Charge	0
Average mass	529.526 Da
Monoisotopic mass	529.18379 Da
Source	ChEBI
InChIKey	HHZIURLSWUIHRB-UHFFFAOYSA-N

SMILES

Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1

InChI

InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)

Also called

nilotinibum (INN)— chebi
4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide (EXACT_SYNONYM)— chebi
AMN 107 (EXACT_SYNONYM)— chebi
AMN107 (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:641571-10-0
drugbank:DB04868
drugcentral:1932
kegg.drug:D08953
lincs.smallmolecule:LSM-1099
pdb-ccd:NIL
wikipedia.en:Nilotinib

Activity roles

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

CHEBI:149553 CHEBI:149553

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:52172`	nilotinib	`antibioticmech:chebi-767ca2f2a0`	2026-08-30

Mechanism summary

Clinical status: APPROVED

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 2026-08-31 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-31 · 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.