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CHEBI:758116 - gamitrinib

Default Structure
ChEBI IDCHEBI:758116
ChEBI Namegamitrinib
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC53H67N3O8P
Net Charge+1
Average Mass905.106
Monoisotopic Mass904.46603
SMILESCO[C@H]1C[C@H](C)CC2=C(NCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](OC)C[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O)C2=O
InChIInChI=1S/C53H66N3O8P/c1-36-31-44-49(55-29-18-7-8-19-30-65(41-23-12-9-13-24-41,42-25-14-10-15-26-42)43-27-16-11-17-28-43)46(57)35-45(51(44)59)56-52(60)37(2)21-20-22-40(62-5)34-47(64-53(54)61)38(3)33-39(4)50(58)48(32-36)63-6/h9-17,20-28,33,35-36,39-40,47-48,50,58H,7-8,18-19,29-32,34H2,1-6H3,(H3-,54,55,56,57,59,60,61)/p+1/b22-20-,37-21+,38-33+/t36-,39+,40+,47-,48+,50-/m1/s1
InChIKeyPMARJMMYAAMURY-FATWHCHZSA-O
Roles Classification
Chemical Role:
catalyst  A substance that increases the rate of a reaction without modifying the overall standard Gibbs energy change in the reaction.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
gamitrinib (CHEBI:758116) has role antineoplastic agent (CHEBI:35610)
gamitrinib (CHEBI:758116) is a phosphine (CHEBI:35883)
Synonyms  Source
GamitrinibChEMBL
Gamitrinib tppChEMBL
G-tppChEMBL