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CHEBI:93751 - PF-3758309

ChEBI IDCHEBI:93751
ChEBI NamePF-3758309
Stars
DefinitionA 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.
Last Modified24 July 2024
DownloadsMolfile
FormulaC25H30N8OS
Net Charge0
Average Mass490.637
Monoisotopic Mass490.22633
SMILESCc1nc(Nc2nnc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1
InChIInChI=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
InChIKeyAYCPARAPKDAOEN-LJQANCHMSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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  Source
PF 3758309ChEBI
PF3758309ChEBI
PF-03758309ChEBI
PF-309ChEBI
PF 309ChEBI
PF309ChEBI
Manual XrefsDatabases
LSM-4254LINCS
DB11775DrugBank
7KCPDBeChem
Registry NumbersSources
CAS:898044-15-0ChEBI
Citations