EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:747470 - rentosertib

Default Structure
ChEBI IDCHEBI:747470
ChEBI Namerentosertib
Stars
DefinitionA TNIK inhibitor drug generated entirely by generative artificial intelligence and evaluated for the treatment of idiopathic pulmonary fibrosis.
Last Modified25 March 2026
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC27H30FN7O
Net Charge0
Average Mass487.583
Monoisotopic Mass487.24959
SMILESCC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)n1
InChIInChI=1S/C27H30FN7O/c1-18(2)35-17-30-24(19-4-6-20(28)7-5-19)25(35)26-29-16-23(32-26)27(36)31-21-8-10-22(11-9-21)34-14-12-33(3)13-15-34/h4-11,16-18H,12-15H2,1-3H3,(H,29,32)(H,31,36)
InChIKeyZVDNXHUSIKGTSF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
rentosertib (CHEBI:747470) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
D13106KEGG DRUG
DB18083DrugBank
Registry NumbersSources
CAS:2828567-39-9KEGG DRUG