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CHEBI:231716 - SB-743921

ChEBI IDCHEBI:231716
ChEBI NameSB-743921
Stars
DefinitionA chromone that is 4H-chromen-4-one substituted by (1R)-1-[(3-aminopropyl)(4-methylbenzoyl)amino]-2-methylpropyl, benzyl, and chloro groups at positions 2, 3, and 7, respectively. It is a potent inhibitor of kinesin spindle protein (Ki = 0.1 nM) and exhibits antineoplastic activity.
Last Modified13 August 2024
Submitterruixy
DownloadsMolfile
FormulaC31H33ClN2O3
Net Charge0
Average Mass517.069
Monoisotopic Mass516.21797
SMILESCc1ccc(C(=O)N(CCCN)[C@@H](c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C31H33ClN2O3/c1-20(2)28(34(17-7-16-33)31(36)23-12-10-21(3)11-13-23)30-26(18-22-8-5-4-6-9-22)29(35)25-15-14-24(32)19-27(25)37-30/h4-6,8-15,19-20,28H,7,16-18,33H2,1-3H3/t28-/m1/s1
InChIKeyPGXYIBJJCLWJST-MUUNZHRXSA-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)
SB-743921 (CHEBI:231716) has role antineoplastic agent (CHEBI:35610)
SB-743921 (CHEBI:231716) has role apoptosis inducer (CHEBI:68495)
SB-743921 (CHEBI:231716) has role microtubule-destabilising agent (CHEBI:61951)
SB-743921 (CHEBI:231716) is a benzamides (CHEBI:22702)
SB-743921 (CHEBI:231716) is a benzenes (CHEBI:22712)
SB-743921 (CHEBI:231716) is a chromones (CHEBI:23238)
SB-743921 (CHEBI:231716) is a organochlorine compound (CHEBI:36683)
SB-743921 (CHEBI:231716) is a primary amino compound (CHEBI:50994)
SB-743921 (CHEBI:231716) is a tertiary carboxamide (CHEBI:140326)
SB-743921 (CHEBI:231716) is a toluenes (CHEBI:27024)
IUPAC Name 
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-4H-chromen-2-yl)-2-methylpropyl]-4-methylbenzamide
Synonyms  Source
SB 743921SUBMITTER
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-4-methylbenzamideSUBMITTER
SB743921SUBMITTER
SB-921ChEBI
SB-743921 free baseChEBI
GSK-921ChEBI
Manual XrefsDatabases
LSM-45775LINCS
6LXPDBeChem
DB05546DrugBank
Registry NumbersSources
CAS:618430-39-0SUBMITTER
Citations