Compound: 301836-41-9
SMILES: O=C(N)c1ccc(-c2nc(-c3cc4OCOc4cc3)c([nH]2)-c5ncccc5)cc1
InChIKey: FHYUGAJXYORMHI-UHFFFAOYSA-N
Synonyms: 301836-41-9, SB-431542, 4-[4-(1,3-BENZODIOXOL-5-YL)-5-(2-PYRIDINYL)-1H-IMIDAZOL-2-YL]BENZAMIDE, J1.722.247C, E1557V1V0N, 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide, DTXSID7042693, Benzamide, 4-(4-(1,3-benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl)-, 4-(4-(1,3-Benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl)benzamide, 4-(4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl)benzamide, RefChem:1069917, DTXCID5022693, SB 431542, 4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide, SB431542, 4-[4-(2H-1,3-benzodioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide, CHEMBL440084, 4-(4-(1,3-Benzodioxole-5-yl)-5-(2-pyridyl)-1H-imidazole-2-yl)benzamide, MFCD05865244, SB-431542 (GMP), 4-[4-(1,3-benzodioxol-5-yl)-5-(2-pyridyl)-1H-imidazol-2-yl]benzamide, 4-(5-benzo[1,3]dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)-benzamide, 4-[5-(1,3-Benzodioxol-5-Yl)-4-(Pyridin-2-Yl)-1h-Imidazol-2-Yl]benzamide, SB-431542-A, SR-01000597591, UNII-E1557V1V0N, 3tzm, Bio2_000852, MFCD11045982, Kinome_3428, SB 431542 hydrate, BSPBio_001064, KBioGR_000404, KBioSS_000404, MLS006010130, SCHEMBL155156, SCHEMBL310028, SB-431542 (Standard), GTPL8216, orb1307603, SCHEMBL29353092, SCHEMBL29359059, SCHEMBL29381798, SCHEMBL30033986, BCBcMAP01_000166, CHEBI:91108, cid_4521392, KBio2_000404, KBio2_002972, KBio2_005540, KBio3_000767, KBio3_000768, EX-A144, TGF-beta RI Kinase Inhibitor VI, BDBM476220, Bio2_000372, GLXC-05168, HMS1362F05, HMS1792F05, HMS1990F05, HMS3268G21, HMS3403F05, HMS3412L21, HMS3648A08, HMS3654O13, HMS3676L21, BDBM50110208, HB3555, HY-10431G, HY-10431R, NSC756453, NSC756649, s1067, 4-(4-Benzo[1,3]dioxol-5-yl-5-pyridin-2-yl-1H-imidazol-2-yl)-benzamide, 4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide, AKOS016003159, CCG-264802, CS-0135, FB32804, NSC-756453, NSC-756649, SB19480, SDCCGGSK-0000195.P001, SDCCGSBI-0639941.P003, IDI1_002127, NCGC00025230-01, NCGC00025230-02, NCGC00025230-03, NCGC00025230-04, NCGC00025230-05, NCGC00025230-06, NCGC00025230-21, AC-23169, AS-16946, HY-10431, SMR004701258, SY016312, US10865384, Compound SB431542, B4003, CS-0615624, SB-431542?, SW212665-2, SB431542,SB-431542, W12958, AB01092258-01, Q7388913, SR-01000597591-1, SR-01000597591-2, BRD-K67298865-001-02-5, BRD-K67298865-001-08-2, BRD-K67298865-001-09-0, 4-(4-Benzo[1,3]dioxol-5-yl-5-pyridin-2-yl-1H-imidazol-2-yl)benzamide, 4-[4-(1,3-Benzodioxol-5-yl)-5-(2-pyridyl)imidazol-2-yl]benzamide, 4-(4-Benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide, 4-(5-(benzo[d][1,3]dioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide
Theoretical properties:
molecular_formula: C22H16N4O3
molecular_weight: 384.4 g/mol
exact_mass: 384.12224039 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 4
heavy_atom_count: 29
topological_polar_surface_area: 103 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: SB 431542 is a member of the class of benzamides that is 4-(imidazol-2-yl)benzamide carrying additional 1,3-benzodioxol-5-yl and pyridin-2-yl substituents at positions 4 and 5 respectively on the imidazole ring. It has a role as an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is a member of benzamides, a member of imidazoles, a member of pyridines and a member of benzodioxoles.
chebi: A member of the class of benzamides that is 4-(imidazol-2-yl)benzamide carrying additional 1,3-benzodioxol-5-yl and pyridin-2-yl substituents at positions 4 and 5 respectively on the imidazole ring.
chembl: SB-431542 is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: SB-431542 is a drug candidate developed by GlaxoSmithKline (GSK) as an inhibitor of the activin receptor-like kinase (ALK) receptors, ALK5, ALK4 and ALK7.  However, it is not an inhibitor of anaplastic lymphoma kinase (which are commonly known as ALK inhibitors).