Compound: Ruboxistaurin
SMILES: O=C1N=C(O)C2=C1c3c4c(cccc4)n(c3)CCO[C@@H](CCn5cc2c6c5cccc6)CN(C)C
InChIKey: ZCBUQCWBWNUWSU-SFHVURJKSA-N
Synonyms: Ruboxistaurin, 169939-94-0, LY-333531, Ruboxistaurina, Ruboxistaurine, 721809WQCP, 13-((Dimethylamino)methyl)-10,11,14,15-tetrahydro-4,9:16,21-dimetheno-1H,13H-dibenzo(e,k)pyrrolo(3,4-h)(1,4,13)oxadiazacyclohexadecene-1,3(2H)-dione, DTXSID00168775, ruboxistaurinum, RefChem:930973, DTXCID1091266, Ruboxistaurin [INN], LY 333531, LY333531, (18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione, K00587a, CHEMBL432130, (7S)-7-((Dimethylamino)methyl)-22,25-dihydro-11H,21H,31H-6-oxa-1,3(3,1)-diindola-2(3,4)-pyrrolacyclononaphane-22,25-dione, (9S)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9H,18H-5,21:12,17-di(metheno)dibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione, 9H,18H-5,21:12,17-Dimethenodibenzo(e,k)pyrrolo(3,4-h)(1,4,13)oxadiazacyclohexadecine-18,20(19H)-dione, 9-((dimethylamino)methyl)-6,7,10,11-tetrahydro-, (9S)-, UNII-721809WQCP, (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, 9H,18H-5,21:12,17-Dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione, 9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-, (9S)-, LY4, 1uu3, RUBOXISTAURIN [MI], LY333531;LY-333531;LY 333531, Ruboxistaurin; LY333531, RUBOXISTAURIN [VANDF], CHEMBL91829, RUBOXISTAURIN [MART.], RUBOXISTAURIN [WHO-DD], cid_153999, GTPL5263, orb1687029, SCHEMBL2496701, BDBM17055, EX-A2313, BDBM50128281, NSC800873, DB11829, FR61574, NSC-800873, ZACYCLOHEXADECINE-18,20-DIONE, (9S)-9-((Dimethylamino)methyl)-6,7,10,11-tetrahydro-9H,19H-5,21:12,17-dimethenodibenzo(e,k)pyrrolo(3,4-h)(1,4,13)oxadiazacyclohexadecene-18,20-dione, AC-35844, DA-77580, HY-10195, MS-28648, CS-0002500, LY-333,531, NS00069260, G13598, Q7376181, (18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.1;{7,14}.0;{2,6}.0;{8,13}.0;{22,27}]nonacosa-1(28),2(6),7(29),8(13),9,11,22(27),23,25-nonaene-3,5-dione, (7S)-7-[(Dimethylamino)methyl]-2~2~,2~5~-dihydro-2~1~H-6-oxa-1,3(3,1)-diindola-2(3,4)-pyrrolacyclononaphane-2~2~,2~5~-dione, (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA, 18-dimethylaminomethyl-(18S)-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8(13),9,11,22(27),23,25-nonaene-3,5-dione; methane sulphonic acid salt
Theoretical properties:
molecular_formula: C28H28N4O3
molecular_weight: 468.5 g/mol
exact_mass: 468.21614077 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 2
heavy_atom_count: 35
topological_polar_surface_area: 68.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: RUBOXISTAURIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
wikipedia: Ruboxistaurin (proposed brand name Arxxant) is an investigational drug for diabetic retinopathy being investigated by Eli Lilly and Company.  It is a member of the bisindolylmaleimide family.
In February 2006, Lilly submitted a New Drug Application for ruboxistaurin, and on August 18, 2006, Lilly received an approvable letter from the US FDA for ruboxistaurin, with a request for an additional clinical trial, which would take 5 years to complete.  Lilly has not made any further request for approval and ruboxistaurin is not approved by the FDA for any medical use.