CHEBI:88219 - TTT-3002

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name TTT-3002
ChEBI ID CHEBI:88219
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H23N5O3
Net Charge 0
Average Mass 465.504
Monoisotopic Mass 465.18009
InChI InChI=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
InChIKey DCAYZGCTSXLIHO-FYCNXDEQSA-N
SMILES N12C=3C=4N(C=5C=CC=CC5C4C6=C(C3C7=C1C=CC=C7)C(NC6)=O)[C@@]8(O[C@]2(C[C@]8(N)C(=O)NC)[H])C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 γ-lactam (CHEBI:74222)
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)
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 Sources
TTT 3002 ChEBI
TTT3002 ChEBI
Citations Waiting for Citations Types Sources
23065705 PubMed citation Europe PMC
24408321 PubMed citation Europe PMC
25060518 PubMed citation Europe PMC
Last Modified
14 October 2015