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Chemical Entities of Biological Interest Ontology
| Preferred Name | venetoclax | |
| Synonyms |
ABT 199 ABT199 ABT-199 GDC 0199 venetoclax Venclexta 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide |
|
| Definitions |
A member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_133021 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:26589495 PMID:26516589 PMID:25658896 PMID:26927160 PMID:25882699 PMID:25185206 Reaxys:20908256 PMID:26110568 PMID:27480872 KEGG:D10679 PMID:27056887 Drug_Central:5133 PMID:26467384 PMID:27092880 PMID:25768998 PMID:27030982 PMID:27103402 PMID:27095788 PMID:27466751 PMID:26967820 PMID:26493374 PMID:24794804 PMID:27166183 PMID:26711339 Wikipedia:Venetoclax CAS:1257044-40-8 PMID:26565405 PMID:25829398 PMID:25957396 PMID:27283158
|
|
| definition |
A member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion.
|
|
| formula |
C45H50ClN7O7S
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| has_exact_synonym |
4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
ABT 199 ABT199 ABT-199 GDC 0199 venetoclax Venclexta
|
|
| id |
CHEBI:133021
|
|
| in_subset | ||
| inchi |
InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
|
|
| inchikey |
LQBVNQSMGBZMKD-UHFFFAOYSA-N
|
|
| label |
venetoclax
|
|
| mass |
868.442
|
|
| monoisotopicmass |
867.31810
|
|
| notation |
CHEBI:133021
|
|
| prefLabel |
venetoclax
|
|
| smiles |
C1N(CCN(C1)C2=CC=C(C(NS(C3=CC=C(C(=C3)[N+](=O)[O-])NCC4CCOCC4)(=O)=O)=O)C(=C2)OC=5C=C6C(=NC5)NC=C6)CC=7CCC(CC7C=8C=CC(=CC8)Cl)(C)C
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|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_46845 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_83403 http://purl.obolibrary.org/obo/CHEBI_46848 http://purl.obolibrary.org/obo/CHEBI_46771 http://purl.obolibrary.org/obo/CHEBI_90852 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_46845 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_83403 http://purl.obolibrary.org/obo/CHEBI_46848 http://purl.obolibrary.org/obo/CHEBI_46771 http://purl.obolibrary.org/obo/CHEBI_90852 |
| Delete | Subject | Author | Type | Created |
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