Compound: Lestaurtinib
SMILES: O=C1NCc2c1c3c4n([C@@H]5O[C@@](n6c4c2c7c6cccc7)(C)[C@@](C5)(O)CO)c8c3cccc8
InChIKey: UIARLYUEJFELEN-LROUJFHJSA-N
Synonyms: Lestaurtinib, 111358-88-4, CEP-701, KT-5555, CEP 701, SPM-924, KT5555, SP924, SP-924, KT-555, CEP701, DO989GC5D1, DTXSID5046778, A-154475.0, DTXCID3026778, A-154475, 9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocin-1-one, 2,3,9,10,11,12-hexahydro-10-hydroxy-10-(hydroxymethyl)-9-methyl-, (9S,10S,12R)-, lestaurtinibum, (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo(12.11.2.1^(15,18).0^(2,6).0^(7,27).0^(8,13).0^(19,26).0^(20,25))octacosa-1(26),2(6),7(27),8,10,12,20,22,24-nonaen-3-one, (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8,10,12,20,22,24-nonaen-3-one, 9,12-Epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocin-1-one, 2,3,9,10,11,12-hexahydro-10-hydroxy-10-(hydroxymethyl)-9-methyl-, (9S,10S,12R)-, RefChem:798967, (15S,16S)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo(12.11.2.115,18.02,6.07,27.08,13.019,26.020,25)octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one, SP 924, KT 5555, CEP-701 hydrate, (9S,10S,12R)-2,3,9,10,11,12-Hexahydro-10-hydroxy-10-(hydroxymethyl)-9-methyl-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocin-1-one, CHEMBL603469, A 154475.0, (5S,6S,8R)-6-hydroxy-6-(hydroxymethyl)-5-methyl-7,8,14,15-tetrahydro-5H-16-oxa-4b,8a,14-triaza-5,8-methanodibenzo[b,h]cycloocta[jkl]cyclopenta[e]-as-indacen-13(6H)-one, NCGC00168772-01, C26H21N3O4, (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one, (5S,6S,8R)-6-Hydroxy-6-(hydroxymethyl)-5-methyl-5,6,7,8,14,15-hexahydro-13H-16-oxa-4b,8a,14-triaza-5,8-methanodibenzo[b,h]cycloocta[jkl]cyclopenta[e]-as-indacen-13-one, Lestaurtinib [USAN], Lestaurtinib (USAN/INN), Lestaurtinib [USAN:INN], UNII-DO989GC5D1, Lestaurtinib?, 4otg, 2V9, A 1544750, Lestaurtinib; CEP701, GlyTouCan:G20293PV, LESTAURTINIB [INN], LESTAURTINIB [MART.], LESTAURTINIB [WHO-DD], GTPL5672, orb1707082, SCHEMBL12963759, CHEBI:91471, GLXC-07175, G20293PV, Tox21_112633, BDBM50308060, EX-A15190, HB1429, MFCD12828858, NSC772196, NSC800782, AKOS024457603, AC-5243, DB06469, EBC-383043, FL24870, NSC-772196, NSC-800782, NCGC00168772-02, NCGC00168772-03, NCGC00168772-04, DA-64923, HY-50867, MS-27884, PA-126565, CAS-111358-88-4, CS-0004336, NS00069188, D04696, G13628, Q6531771, BRD-K23192422-001-01-1, Z2037281011, (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8(13),9,11,20(25),21,23,26-nonaen-3-one, (4bR,5S,6S,8R,8aS)-6-hydroxy-6-(hydroxymethyl)-5-methyl-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacen-13-one, (5S,6S,8R)-6-hydroxy-6-(hydroxymethyl)-5-methyl-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacen-13-one, (9S,10S,12R)-10-Hydroxy-10-(hydroxymethyl)-9-methyl-2,3,9,10,11,12-hexahydro-9,12-epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocin-1-one, (9S,10S,12R)-2,3,9,10,11,12-Hexahydro-10-hydroxy-10-(hydroxymethyl)-9-methyl-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4  -i][1,6]benzodiazocin-1-one, 16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8(13),9,11,20(25),21,23-nonaen-3-one, 9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocin-1-one, 2,3,9,10,11,12-hexahydro-10-hydroxy-10-(hydroxymethyl)-9-methyl-, (9S-(9alpha,10beta,12alpha))-
Theoretical properties:
molecular_formula: C26H21N3O4
molecular_weight: 439.5 g/mol
exact_mass: 439.15320616 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 1
heavy_atom_count: 33
topological_polar_surface_area: 88.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: LSM-1231 is an indolocarbazole.
chembl: LESTAURTINIB is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
wikipedia: Lestaurtinib (rINN, codenamed CEP-701) is a tyrosine kinase inhibitor structurally related to staurosporine.  This semisynthetic derivative of the indolocarbazole K252a was investigated by Cephalon as a treatment for various types of cancer.  It is an inhibitor of the kinases fms-like tyrosine kinase 3 (FLT3), Janus kinase 2 (JAK2), tropomyosin receptor kinase (trk) A (TrkA), TrkB and TrkC.