Dordaviprone
11-benzyl-7-[(2-methylphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-dien-8-one
Molecular Identity
Dordaviprone
11-benzyl-7-[(2-methylphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-dien-8-one
PubChem CID: 73777259
Dordaviprone is an organic heterotricyclic compound that is 2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one substituted by 2-methylbenzyl and benzyl groups at positions 4 and 7, respectively. It is a selective antagonist of the dopamine receptor D2 and an allosteric agonist of mitochondrial protease caseinolytic protease P. It has a role as a dopamine receptor D2 antagonist, an antineoplastic agent and an apoptosis inducer. It is a member of benzenes, an organic heterotricyclic compound and a member of toluenes.
2D Structure
Properties
C24H26N4O
Molecular Formula
386.50
Molecular Weight
g/mol
386.2107
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
39.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
693
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC=CC=C1CN2C(=O)C3=C(CCN(C3)CC4=CC=CC=C4)N5C2=NCC5Isomeric SMILES
SMILES: CC1=CC=CC=C1CN2C(=O)C3=C(CCN(C3)CC4=CC=CC=C4)N5C2=NCC5Synonyms(20)
1616632-77-9DordaviproneONC201ONC 201ONC-2019U35A31JAINSC-3506252,4,6,7,8,9-Hexahydro-4-((2-methylphenyl)methyl)-7-phenylmethyl)imidazo)(1,2-a)pyrido(3,4-e)pyrimidin-5(1H)-oneRefChem:920624Akt/ERK Inhibitor ONC2017-Benzyl-4-(2-methylbenzyl)-1,2,6,7,8,9-hexahydroimidazo[1,2-A]pyrido[3,4-E]pyrimidin-5(4H)-onedordavipronaTIC10 compoundMFCD28118993UNII-9U35A31JAI
Data from PubChem (NCBI)
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Drug Network
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