CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: alsterpaullone
Accession: CHEBI:138488
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Definition: An organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole.
Synonyms: related_synonym: 14-nitro-8,18-diazatetracyclo[9.7.0.0({2,7}).0({12,17})]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one; 9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONE; 9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one; 9-nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one; 9-nitropaullone; Formula=C16H11N3O3; InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20); InChIKey=OLUKILHGKRVDCT-UHFFFAOYSA-N; SMILES=C12=CC=C(C=C2C=3CC(NC4=CC=CC=C4C3N1)=O)[N+](=O)[O-]
alt_id: CHEBI:40939
xref: CAS:237430-03-4; Chemspider:4185120; DrugBank:DB04014; LINCS:LSM-6558
xref_mesh: MESH:C120793
xref: PDB:1Q3W; PDBeChem:ATU; PMID:10425100; PMID:12669310; PMID:20334651; PMID:22052821; PMID:23577282; PMID:26061748; PMID:26442525; Pubchem:24890918; Reaxys:8340480
G
Ar
androgen receptor
increases activity
ISO
alsterpaullone analog results in increased activity of AR protein
CTD
PMID:21111724
NCBI chr X:63,104,771...63,273,934
Ensembl chr X:63,104,771...63,273,925
G
Casp3
caspase 3
multiple interactions
EXP
alsterpaullone inhibits the reaction [Colchicine results in increased activity of CASP3 protein]
CTD
PMID:20300959
NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648
G
Cdk2
cyclin dependent kinase 2
decreases activity
ISO
alsterpaullone results in decreased activity of CDK2 protein
CTD
PMID:12534346
NCBI chr 7:1,129,878...1,137,431
Ensembl chr 7:1,129,811...1,137,403
G
Gsk3b
glycogen synthase kinase 3 beta
decreases activity
ISO
alsterpaullone results in decreased activity of GSK3B protein
CTD
PMID:12534346
NCBI chr11:62,498,997...62,648,665
Ensembl chr11:62,504,316...62,648,646
G
Klk1c10
kallikrein 1-related peptidase C10
increases expression
ISO
alsterpaullone results in increased expression of KLK3 mRNA
CTD
PMID:21111724
NCBI chr 1:94,402,993...94,407,052
Ensembl chr 1:94,402,993...94,407,052
G
Lck
LCK proto-oncogene, Src family tyrosine kinase
decreases activity
ISO
alsterpaullone results in decreased activity of LCK protein
CTD
PMID:12534346
NCBI chr 5:141,888,318...141,916,945
Ensembl chr 5:141,888,326...141,903,794
G
Tp53
tumor protein p53
affects localization multiple interactions
ISO
alsterpaullone affects the localization of TP53 protein alsterpaullone results in decreased degradation of and results in increased expression of TP53 protein
CTD
PMID:16055726
NCBI chr10:54,300,070...54,311,525
Ensembl chr10:54,300,048...54,311,524
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