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CHEBI:88219 - TTT-3002

ChEBI IDCHEBI:88219
ChEBI NameTTT-3002
Stars
DefinitionAn organic heterooctacyclic compound that is 1H,1'H-2,2'-biindole in which the nitrogens have undergone formal oxidative coupling to positions 2 and 5 of 3-amino-N,2-dimethyloxolane-3-carboxamide (the 2R,3R,5S product), and in which the 3 and 3' positions of the biindole moiety have also undergone formal oxidative coupling to positions 3 and 4 of 1,5-dihydro-2H-pyrrol-2-one.
Last Modified14 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC27H23N5O3
Net Charge0
Average Mass465.513
Monoisotopic Mass465.18009
SMILES[H][C@@]12C[C@](N)(C(=O)NC)[C@@](C)(O1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
InChIInChI=1S/C27H23N5O3/c1-26-27(28,25(34)29-2)11-18(35-26)31-16-9-5-3-7-13(16)20-21-15(12-30-24(21)33)19-14-8-4-6-10-17(14)32(26)23(19)22(20)31/h3-10,18H,11-12,28H2,1-2H3,(H,29,34)(H,30,33)/t18-,26+,27-/m0/s1
InChIKeyDCAYZGCTSXLIHO-FYCNXDEQSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
TTT-3002 (CHEBI:88219) has role antineoplastic agent (CHEBI:35610)
TTT-3002 (CHEBI:88219) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
TTT-3002 (CHEBI:88219) is a bridged compound (CHEBI:35990)
TTT-3002 (CHEBI:88219) is a hemiaminal (CHEBI:73080)
TTT-3002 (CHEBI:88219) is a indolocarbazole (CHEBI:51915)
TTT-3002 (CHEBI:88219) is a monocarboxylic acid amide (CHEBI:29347)
TTT-3002 (CHEBI:88219) is a organic heterooctacyclic compound (CHEBI:38165)
TTT-3002 (CHEBI:88219) is a primary amino compound (CHEBI:50994)
TTT-3002 (CHEBI:88219) is a γ-lactam (CHEBI:74222)
IUPAC Name 
(5R,6R,8S)-6-amino-N,5-dimethyl-13-oxo-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxamide
Synonyms  Source
TTT 3002ChEBI
TTT3002ChEBI
Citations