CHEBI:32135 - soblidotin

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ChEBI Name soblidotin
ChEBI ID CHEBI:32135
Definition A tetrapeptide derivative of dolastatin 10. It is an inhibitor of tubulin polymerization which exhibits potent antitumor activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H67N5O6
Net Charge 0
Average Mass 701.994
Monoisotopic Mass 701.50913
InChI InChI=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
InChIKey DZMVCVHATYROOS-ZBFGKEHZSA-N
SMILES [H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)NCCC1=CC=CC=C1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)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): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing soblidotin (CHEBI:32135) has functional parent 2-phenylethylamine (CHEBI:18397)
soblidotin (CHEBI:32135) has functional parent L-valine (CHEBI:16414)
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 Sources
soblidotin WHO MedNet
soblidotina WHO MedNet
soblidotine WHO MedNet
soblidotinum WHO MedNet
Synonyms Sources
TZT 1027 ChemIDplus
TZT-1027 ChemIDplus
Manual Xrefs Databases
D01919 KEGG DRUG
DB12677 DrugBank
US7008928 Patent
View more database links
Registry Number Type Source
149606-27-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
15 January 2021