CHEBI:93751 - PF-3758309

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ChEBI Name PF-3758309
ChEBI ID CHEBI:93751
Definition A member of the class of thienopyrimidines that is thieno[3,2-d]pyrimidine substituted by methyl and (5-{[(1S)-2-(dimethylamino)-1-phenylethyl]carbamoyl}-6,6-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)amino groups at positions 2 and 4, respectively. It is a potent inhibitor of PAK4 and inhibits the growth of multiple human tumor xenografts.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H30N8OS
Net Charge 0
Average Mass 490.630
Monoisotopic Mass 490.22633
InChI InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1
InChIKey AYCPARAPKDAOEN-LJQANCHMSA-N
SMILES CN(C)C[C@@H](NC(=O)N1CC2=C(NN=C2NC2=NC(C)=NC3=C2SC=C3)C1(C)C)C1=CC=CC=C1
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 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PF-3758309 (CHEBI:93751) has role antineoplastic agent (CHEBI:35610)
PF-3758309 (CHEBI:93751) has role apoptosis inducer (CHEBI:68495)
PF-3758309 (CHEBI:93751) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
PF-3758309 (CHEBI:93751) is a benzenes (CHEBI:22712)
PF-3758309 (CHEBI:93751) is a pyrrolopyrazole (CHEBI:46866)
PF-3758309 (CHEBI:93751) is a secondary amino compound (CHEBI:50995)
PF-3758309 (CHEBI:93751) is a tertiary amino compound (CHEBI:50996)
PF-3758309 (CHEBI:93751) is a thienopyrimidine (CHEBI:143212)
PF-3758309 (CHEBI:93751) is a ureas (CHEBI:47857)
IUPAC Name
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxamide
Synonyms Sources
PF 309 ChEBI
PF 3758309 ChEBI
PF-03758309 ChEBI
PF-309 ChEBI
PF309 ChEBI
PF3758309 ChEBI
Manual Xrefs Databases
7KC PDBeChem
DB11775 DrugBank
LSM-4254 LINCS
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Registry Number Type Source
898044-15-0 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
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Last Modified
24 July 2024