Compound: QUISINOSTAT
SMILES: O=C(NO)c1cnc(N2CCC(CNCc3c4c(cccc4)n(c3)C)CC2)nc1
InChIKey: PAWIYAYFNXQGAP-UHFFFAOYSA-N
Synonyms: QUISINOSTAT, 875320-29-9, JNJ-26481585, N-Hydroxy-2-(4-((((1-methyl-1H-indol-3-yl)methyl)amino)methyl)piperidin-1-yl)pyrimidine-5-carboxamide, 9BJ85K1J8S, JNJ 26481585, N-hydroxy-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide, DTXSID90236376, 5-Pyrimidinecarboxamide, N-hydroxy-2-(4-((((1-methyl-1H-indol-3-yl)methyl)amino)methyl)-1-piperidinyl)-, N-Hydroxy-2-[4-({[(1-methyl-1H-indol-3-yl)methyl]amino}methyl)piperidin-1-yl]pyrimidine-5-carboxamide, JNJ26481585, quisinostatum, N-hydroxy-2-(4-(((1-methylindol-3-yl)methylamino)methyl)piperidin-1-yl)pyrimidine-5-carboxamide, RefChem:930503, DTXCID90158867, HDAC Inhibitor JNJ-26481585, MFCD17010272, Quisinostat (JNJ-26481585), Quisinostat HCl, N-Hydroxy-2-(4-((((1-methyl-1H-indol-3-yl)methyl)amino)-methyl)piperidin-1-yl)pyrimidine-5-carboxamide, 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, JNJ-26481585-d3, Quisinostat [USAN], Quisinostat [USAN:INN], UNII-9BJ85K1J8S, GOK, QUISINOSTAT [INN], Quisinostat (USAN/INN), QUISINOSTAT [WHO-DD], MLS006011096, GTPL7503, orb1301114, SCHEMBL2360460, CHEMBL2105763, SCHEMBL29355421, CHEBI:94771, JNJ 26481585 dihydrochloride, GLXC-03748, HMS3654M19, HMS3747E21, AKB32029, BDBM50105327, NSC759657, AKOS016004011, CS-5065, DB12985, NSC-759657, SB16528, NCGC00346487-01, NCGC00346487-04, NCGC00346487-05, AC-27415, AS-16361, BP-40072, HY-15433, N-Hydroxy-2-(4-((((1-methyl-1H-indol-3-yl)methyl)amino)methyl)piperidin-1-yl)pyrimidine-5-carboxamid, N-hydroxy-2-(4-(((1-methyl-1H-indol-3-yl)methylamino)methyl)piperidin-1-yl)pyrimidine-5-carboxamide, SMR004702884, NS00072160, SW219796-1, D10321, Q7272620, BRD-K83837640-001-01-4, BRD-K83837640-001-04-8, 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]-1-piperidyl]pyrimidine-5-carbohydroxamic acid, N-Hydroxy-2-(4-((((1-methyl-1H-indol-3-yl)methyl)amino)-methyl)piperidin-1-yl)pyrimidine-5-carboxamide, hydrochloride, N-hydroxy-2-(4-(((1-methyl-1H-indol-3-yl)methylamino)methyl)piperidin-1-yl)pyrimidine-5-carboxamide dihydrochloride
Theoretical properties:
molecular_formula: C21H26N6O2
molecular_weight: 394.5 g/mol
exact_mass: 394.21172409 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 6
heavy_atom_count: 29
topological_polar_surface_area: 95.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Quisinostat is a member of the class of methylindoles that is 1H-indole substituted by methyl and [({1-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperidin-4-yl}methyl)amino]methyl groups at positions 1 and 3, respectively. It is an orally bioavailable pan-HDAC inhibitor that exhibits antineoplastic activity. It has a role as a radiosensitizing agent, an autophagy inducer, an antineoplastic agent, an antimalarial, a bone density conservation agent and an EC 3.5.1.98 (histone deacetylase) inhibitor. It is a hydroxamic acid, a member of piperidines, a methylindole, a member of pyrimidines and a secondary amino compound.
chebi: A member of the class of methylindoles that is 1<em>H</em>-indole substituted by methyl and [({1-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperidin-4-yl}methyl)amino]methyl groups at positions 1 and 3, respectively. It is an orally bioavailable pan-HDAC inhibitor that exhibits antineoplastic activity.
chembl: QUISINOSTAT is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Quisinostat (USAN; development code JNJ-26481585) is an experimental drug candidate for the treatment of cancer.  It is a "second generation" histone deacetylase inhibitor with antineoplastic activity. It is highly potent against class I and II HDACs.