CHEBI:132239 - PHA-533533

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ChEBI Name PHA-533533
ChEBI ID CHEBI:132239
Definition A carboxamide resulting from the formal condensation of the primary amino group of 5-cyclopropyl-1H-pyrazol-3-amine with the carboxy group of (2S)-2-phenylpropanoic acid in which the phenyl ring is substituted at the para position by a 2-oxopyrrolidin-1-yl group. A CDK2 inhibitor with antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H22N4O2
Net Charge 0
Average Mass 338.404
Monoisotopic Mass 338.17428
InChI InChI=1S/C19H22N4O2/c1-12(19(25)20-17-11-16(21-22-17)14-4-5-14)13-6-8-15(9-7-13)23-10-2-3-18(23)24/h6-9,11-12,14H,2-5,10H2,1H3,(H2,20,21,22,25)/t12-/m0/s1
InChIKey UAOIPNOTWOYAMU-LBPRGKRZSA-N
SMILES C([C@@H](C)C1=CC=C(C=C1)N2C(CCC2)=O)(NC3=NNC(=C3)C4CC4)=O
Roles Classification
Biological Role(s): EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PHA-533533 (CHEBI:132239) has role antineoplastic agent (CHEBI:35610)
PHA-533533 (CHEBI:132239) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
PHA-533533 (CHEBI:132239) is a cyclopropanes (CHEBI:51454)
PHA-533533 (CHEBI:132239) is a pyrazoles (CHEBI:26410)
PHA-533533 (CHEBI:132239) is a pyrrolidin-2-ones (CHEBI:74223)
PHA-533533 (CHEBI:132239) is a secondary carboxamide (CHEBI:140325)
PHA-533533 (CHEBI:132239) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
Synonyms Sources
PHA 533533 ChEBI
PHA533533 ChEBI
Citations Waiting for Citations Types Sources
15828833 PubMed citation Europe PMC
24004674 PubMed citation Europe PMC
Last Modified
07 March 2018