GSK2879552
4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid
Molecular Identity
GSK2879552
4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid
PubChem CID: 66571643
GSK2879552 is a member of the class of piperidines that is piperidine substituted by (4-carboxyphenyl)methyl and {[(1R,2S)-2-phenylcyclopropyl]amino}methyl groups at positions 1 and 4, respectively. It is a potent and irreversible inhibitor of lysine specific demethylase 1 (LSD1, also known as KDM1A). It was under clinical investigation for the treatment of acute myeloid leukaemia and small cell lung carcinoma. It has a role as an EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor and an antineoplastic agent. It is a member of benzenes, a member of benzoic acids, a monocarboxylic acid, a member of piperidines, a secondary amino compound, a tertiary amino compound and a member of cyclopropanes.
2D Structure
Properties
C23H28N2O2
Molecular Formula
364.50
Molecular Weight
g/mol
364.2151
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
52.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
475
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
GSK28795521401966-69-5GSK-28795524-((4-((((1R,2S)-2-Phenylcyclopropyl)amino)methyl)piperidin-1-yl)methyl)benzoic acidGT77Z6Y09Z4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzoic acidCHEBI:1763344-{[4-({[(1R,2S)-2-PHENYLCYCLOPROPYL]AMINO}METHYL)PIPERIDIN-1-YL]METHYL}BENZOIC ACIDBenzoic acid, 4-((4-((((1R,2S)-2-phenylcyclopropyl)amino)methyl)-1-piperidinyl)methyl)-GSK 28795524-[[4-[[((1R,2S)-2-Phenylcyclopropyl)amino]methyl]piperidin-1-yl]methyl]benzoic acidRefChem:144555MFCD28411435CHEMBL37861821401966-63-9
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to GSK2879552
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