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CHEBI:32135 - soblidotin

ChEBI IDCHEBI:32135
ChEBI Namesoblidotin
Stars
DefinitionA tetrapeptide derivative of dolastatin 10. It is an inhibitor of tubulin polymerization which exhibits potent antitumor activity.
Last Modified15 January 2021
DownloadsMolfile
FormulaC39H67N5O6
Net Charge0
Average Mass701.994
Monoisotopic Mass701.50913
SMILES[H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)NCCc1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C
InChIInChI=1S/C39H67N5O6/c1-13-27(6)35(43(10)39(48)33(25(2)3)41-38(47)34(26(4)5)42(8)9)31(49-11)24-32(45)44-23-17-20-30(44)36(50-12)28(7)37(46)40-22-21-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-31,33-36H,13,17,20-24H2,1-12H3,(H,40,46)(H,41,47)/t27-,28+,30-,31+,33-,34-,35-,36+/m0/s1
InChIKeyDZMVCVHATYROOS-ZBFGKEHZSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
microtubule-destabilising agent  Any substance that interacts with tubulin to inhibit polymerisation of microtubules.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
soblidotin (CHEBI:32135) has functional parent L-valine (CHEBI:16414)
soblidotin (CHEBI:32135) has functional parent 2-phenylethylamine (CHEBI:18397)
soblidotin (CHEBI:32135) has role antineoplastic agent (CHEBI:35610)
soblidotin (CHEBI:32135) has role apoptosis inducer (CHEBI:68495)
soblidotin (CHEBI:32135) has role microtubule-destabilising agent (CHEBI:61951)
soblidotin (CHEBI:32135) is a tetrapeptide (CHEBI:48030)
IUPAC Name 
N,N-dimethyl-L-valyl-N-{(3R,4S,5S)-3-methoxy-1-[(2S)-2-{(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(2-phenylethyl)amino]propyl}pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl}-N-methyl-L-valinamide
INNs  Source
soblidotinWHO MedNet
soblidotinaWHO MedNet
soblidotineWHO MedNet
soblidotinumWHO MedNet
Synonyms  Source
TZT 1027ChemIDplus
TZT-1027ChemIDplus
Manual XrefsDatabases
D01919KEGG DRUG
DB12677DrugBank
US7008928Patent
Registry NumbersSources
CAS:149606-27-9ChemIDplus
Citations