CHEBI:73290 - PK-11195

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ChEBI Name PK-11195
ChEBI ID CHEBI:73290
Definition A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
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Formula C21H21ClN2O
Net Charge 0
Average Mass 352.85700
Monoisotopic Mass 352.134
InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
InChIKey RAVIZVQZGXBOQO-UHFFFAOYSA-N
SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Roles Classification
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing PK-11195 (CHEBI:73290) has role antineoplastic agent (CHEBI:35610)
PK-11195 (CHEBI:73290) is a aromatic amide (CHEBI:62733)
PK-11195 (CHEBI:73290) is a isoquinolines (CHEBI:24922)
PK-11195 (CHEBI:73290) is a monocarboxylic acid amide (CHEBI:29347)
PK-11195 (CHEBI:73290) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name
N-sec-butyl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
Synonyms Sources
1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide ChemIDplus
PK11195 ChemIDplus
RP 52028 ChemIDplus
Database Links Databases
LSM-1532 LINCS
PK-11195 Wikipedia
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Registry Numbers Types Sources
4264456 Beilstein Registry Number ChemIDplus
4264456 Reaxys Registry Number Reaxys
85532-75-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22528948 PubMed citation Europe PMC
23358477 PubMed citation Europe PMC
23597562 PubMed citation Europe PMC
23611861 PubMed citation Europe PMC
Last Modified
24 February 2016