Compound: Enzastaurin
SMILES: O=C1NC(=O)C(=C1c2c3c(cccc3)n(c2)C4CCN(Cc5ncccc5)CC4)c6c7c(cccc7)n(c6)C
InChIKey: AXRCEOKUDYDWLF-UHFFFAOYSA-N
Synonyms: Enzastaurin, 170364-57-5, LY317615, LY-317615, enzastaurina, DB102, UC96G28EQF, ENZASTAURINE, DTXSID5044029, DB-102, DTXCID3024029, 1H-Pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-, enzastaurinum, Kinenza, 3-(1-methyl-1H-indol-3-yl)-4-(1-(1-(pyridin-2-ylmethyl)piperidin-4-yl)-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-{1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-indol-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione, RefChem:137067, 3-(1-methyl-1H-indol-3-yl)-4-(1-(1-((pyridin-2-yl)methyl)piperidin-4-yl)-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione, Enzastaurin (LY317615), 3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(pyridin-2-ylmethyl)piperidin-4-yl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione, MFCD11040980, 3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione, LY 317615, CHEMBL300138, 3-(1-Methyl-1H-indol-3-yl)-4-[1-[1-(2-pyridinylmethyl)-4-piperidinyl]-1H-indol-3-yl]-1H-pyrrole-2,5-dione, s1055, 3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(pyridin-2-ylmethyl)-piperidin-4-yl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione, 3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione, Enzastaurin [INN], CAS-170364-57-5, UNII-UC96G28EQF, C32H29N5O2, LE-0014, ENZASTAURIN [MI], Enzastaurin (USAN/INN), Enzastaurin [USAN:INN], Enzastaurin,LY317615, ENZASTAURIN [USAN], Enzastaurin; LY317615, ENZASTAURIN [WHO-DD], SCHEMBL678748, Enzastaurin (LY317615)?, GTPL5693, orb1300907, SCHEMBL29356867, SCHEMBL29371538, CHEBI:91368, GLXC-03501, HMS3265M05, HMS3265M06, HMS3265N05, HMS3265N06, HMS3654A13, HMS3748E03, HMS5079M07, EX-A1055, WHO 8426, Tox21_113367, BDBM50128285, EBC-11284, NSC767124, NSC800096, AKOS015994764, Tox21_113367_1, AC-5900, CCG-264797, CS-0132, DB06486, FE22698, NSC-767124, NSC-800096, SB16481, SDCCGSBI-0654101.P001, 3-(1-methylindol-3-yl)-4-[1-[1-(2-pyridylmethyl)-4-piperidyl]indol-3-yl]pyrrole-2,5-dione, NCGC00238452-01, NCGC00238452-02, NCGC00238452-03, NCGC00238452-11, HY-10342, DB-064781, NS00068507, SW219797-1, D11935, SBI-0654101.0001, Q5381479, BRD-K79404599-001-01-0, BRD-K79404599-001-09-3, 1H-Pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl), 3-(1-Methyl-1H-indol-3-yl)-4-(1-{1-[(pyridin-2-yl)methyl]piperidin-4-yl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione, 3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmethyl-piperidin-4-yl)-1H-indol-3-yl]-pyrrole-2,5-dione
Theoretical properties:
molecular_formula: C32H29N5O2
molecular_weight: 515.6 g/mol
exact_mass: 515.23212518 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 5
heavy_atom_count: 39
topological_polar_surface_area: 72.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 3-(1-methyl-3-indolyl)-4-[1-[1-(2-pyridinylmethyl)-4-piperidinyl]-3-indolyl]pyrrole-2,5-dione is a member of indoles and a member of maleimides.
chembl: ENZASTAURIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
wikipedia: Enzastaurin is a synthetic bisindolylmaleimide with potential antineoplastic activity. Binding to the ATP-binding site, enzastaurin selectively inhibits protein kinase C beta, an enzyme involved in the induction of vascular endothelial growth factor (VEGF)-stimulated neo-angiogenesis. This agent may decrease tumor blood supply, preventing growth.