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CHEBI:758137 - simufilam hydrochloride

Default Structure
ChEBI IDCHEBI:758137
ChEBI Namesimufilam hydrochloride
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaHCl.H2O.C15H21N3O.HCl
Net Charge0
Average Mass350.290
Monoisotopic Mass349.13238
SMILESCN1CCC2(CC1)NCC(=O)N2Cc1ccccc1.Cl.Cl.O
InChIInChI=1S/C15H21N3O.2ClH.H2O/c1-17-9-7-15(8-10-17)16-11-14(19)18(15)12-13-5-3-2-4-6-13;;;/h2-6,16H,7-12H2,1H3;2*1H;1H2
InChIKeyDVQGFCMKIGJTMJ-UHFFFAOYSA-N
Roles Classification
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
simufilam hydrochloride (CHEBI:758137) has role anti-inflammatory agent (CHEBI:67079)
simufilam hydrochloride (CHEBI:758137) has role antineoplastic agent (CHEBI:35610)
simufilam hydrochloride (CHEBI:758137) is a azaspiro compound (CHEBI:35624)
Synonyms  Source
PTI-125 DIHYDROCHLORIDE MONOHYDRATEChEMBL
PTI-125 hydrochlorideChEMBL
PTI-910 DIHYDROCHLORIDE MONOHYDRATEChEMBL
PTI-910 hydrochlorideChEMBL
Simufilam hydrochlorideChEMBL