CHEBI:144672 - PF-956980

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ChEBI Name PF-956980
ChEBI ID CHEBI:144672
Definition A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted at position 4 by a methyl[(3R,4R)-4-methyl-1-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]nitrilo group. It is a potent JAK3-selective chemical probe.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter alison.axtman
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Formula C18H26N6O
Net Charge 0
Average Mass 342.447
Monoisotopic Mass 342.21681
InChI InChI=1S/C18H26N6O/c1-13-6-10-24(18(25)23-8-3-4-9-23)11-15(13)22(2)17-14-5-7-19-16(14)20-12-21-17/h5,7,12-13,15H,3-4,6,8-11H2,1-2H3,(H,19,20,21)/t13-,15+/m1/s1
InChIKey RONMOMUOZGIDET-HIFRSBDPSA-N
SMILES CN(C1=C2C(NC=C2)=NC=N1)[C@@H]3[C@@H](CCN(C3)C(N4CCCC4)=O)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
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ChEBI Ontology
Outgoing PF-956980 (CHEBI:144672) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
PF-956980 (CHEBI:144672) is a N-acylpiperidine (CHEBI:48591)
PF-956980 (CHEBI:144672) is a N-acylpyrrolidine (CHEBI:46766)
PF-956980 (CHEBI:144672) is a pyrrolopyrimidine (CHEBI:38670)
PF-956980 (CHEBI:144672) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone
Synonyms Sources
PF 956980 ChEBI
PF-956980 ChEBI
PF956980 ChEBI
PFE-PKIS 8 ChEBI
Manual Xrefs Databases
5TQ6 PDB
7GV PDBeChem
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Registry Number Type Source
1262832-74-5 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
18094329 PubMed citation Europe PMC
20716767 PubMed citation Europe PMC
23968543 PubMed citation Europe PMC
26090665 PubMed citation Europe PMC
27983835 PubMed citation Europe PMC
28318222 PubMed citation Europe PMC
Last Modified
29 August 2019