芳香族苯胺

IRAK4 inhibitor 4b

技术标识符

IUPAC名称

N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

SMILES

COc1cc(ccc1NC(=O)c1cccc(n1)c1ccn[nH]1)N1CCOCC1

InChIKey

RAFFLDOJXQAJPF-UHFFFAOYSA-N

InChI

1S/C20H21N5O3/c1-27-19-13-14(25-9-11-28-12-10-25)5-6-17(19)23-20(26)18-4-2-3-15(22-18)16-7-8-21-24-16/h2-8,13H,9-12H2,1H3,(H,21,24)(H,23,26)

关联靶标

Interleukin-1 receptor-associated kinase 4, Interleukin-1 receptor-associated kinase 1

GSK864

技术标识符

IUPAC名称

(7S)-1-[(4-fluorophenyl)methyl]-3-N-(4-methoxy-3,5-dimethylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,6-dihydropyrazolo[4,3-c]pyridine-3,7-dicarboxamide

SMILES

COc1c(C)cc(cc1C)NC(=O)c1nn(c2c1CN(C[C@]2(C)C(=O)N)C(=O)c1[nH]ccc1)Cc1ccc(cc1)F

InChIKey

DUCNNEYLFOQFSW-PMERELPUSA-N

InChI

1S/C30H31FN6O4/c1-17-12-21(13-18(2)25(17)41-4)34-27(38)24-22-15-36(28(39)23-6-5-11-33-23)16-30(3,29(32)40)26(22)37(35-24)14-19-7-9-20(31)10-8-19/h5-13,33H,14-16H2,1-4H3,(H2,32,40)(H,34,38)/t30-/m0/s1

GS-444217

技术标识符

IUPAC名称

4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide

SMILES

O=C(c1nccc(c1)n1cnc(c1)C1CC1)Nc1cccc(c1)c1nncn1C1CC1

InChIKey

ZGCMQKWOUIMBEP-UHFFFAOYSA-N

InChI

1S/C23H21N7O/c31-23(20-11-19(8-9-24-20)29-12-21(25-13-29)15-4-5-15)27-17-3-1-2-16(10-17)22-28-26-14-30(22)18-6-7-18/h1-3,8-15,18H,4-7H2,(H,27,31)

关联靶标

Mitogen-activated protein kinase kinase kinase 5

BVT173187

技术标识符

IUPAC名称

3,5-dichloro-N-(2-chloro-5-methylphenyl)-2-hydroxybenzamide

SMILES

Cc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1O)Cl)Cl

InChIKey

UCOQCHLODZCXRH-UHFFFAOYSA-N

InChI

1S/C14H10Cl3NO2/c1-7-2-3-10(16)12(4-7)18-14(20)9-5-8(15)6-11(17)13(9)19/h2-6,19H,1H3,(H,18,20)

关联靶标

fMet-Leu-Phe receptor

AM-6494

技术标识符

IUPAC名称

N-[3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-5-prop-2-ynoxypyrazine-2-carboxamide

SMILES

C#CCOc1ncc(nc1)C(=O)Nc1cc(F)c(c(c1)[C@@]1(C)N=C(N)S[C@@]2([C@H]1C2)COC)F

InChIKey

IPUJINDWAGRAHN-KNXBSLHKSA-N

InChI

1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1

关联靶标

Beta-secretase 1, Beta-secretase 2, Potassium voltage-gated channel subfamily H member 2

5-[2-[5-[[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]ethynyl]-N,1-dimethylimidazole-2-carboxamide

技术标识符

IUPAC名称

5-[2-[5-[[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]ethynyl]-N,1-dimethylimidazole-2-carboxamide

SMILES

OCCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc(n1C)C(=O)NC)C

InChIKey

SUXYGJZMCWKJJI-UHFFFAOYSA-N

InChI

1S/C30H33F3N6O3/c1-20-4-5-22(16-21(20)7-9-25-18-35-27(37(25)3)29(42)34-2)28(41)36-24-8-6-23(26(17-24)30(31,32)33)19-39-12-10-38(11-13-39)14-15-40/h4-6,8,16-18,40H,10-15,19H2,1-3H3,(H,34,42)(H,36,41)

关联靶标

Ephrin type-A receptor 2, Ephrin type-A receptor 3, Proto-oncogene tyrosine-protein kinase receptor Ret, Proto-oncogene tyrosine-protein kinase Src, Vascular endothelial growth factor receptor 3, Ephrin type-A receptor 7, Receptor-type tyrosine-protein kinase FLT3, Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, Angiopoietin-1 receptor, Platelet-derived growth factor receptor alpha, Platelet-derived growth factor receptor beta, Serine/threonine-protein kinase B-raf, Vascular endothelial growth factor receptor 1, Vascular endothelial growth factor receptor 2, Tyrosine-protein kinase ABL1

5-({3-[4-(morpholin-4-yl)benzamido]phenyl}methoxy)pyridine-3-carboxamide

技术标识符

IUPAC名称

5-({3-[4-(morpholin-4-yl)benzamido]phenyl}methoxy)pyridine-3-carboxamide

SMILES

O=C(c1ccc(cc1)N1CCOCC1)Nc1cccc(c1)COc1cncc(c1)C(=O)N

InChIKey

VKLKXFOZNHEBSW-UHFFFAOYSA-N

InChI

1S/C24H24N4O4/c25-23(29)19-13-22(15-26-14-19)32-16-17-2-1-3-20(12-17)27-24(30)18-4-6-21(7-5-18)28-8-10-31-11-9-28/h1-7,12-15H,8-11,16H2,(H2,25,29)(H,27,30)

关联靶标

NAD-dependent protein deacetylase sirtuin-2

2-methyl-N-[2-({3-[2-(prop-2-enamido)acetamido]phenyl}amino)pyrimidin-5-yl]-5-[3-(trifluoromethyl)benzamido]benzamide

技术标识符

IUPAC名称

2-methyl-N-[2-({3-[2-(prop-2-enamido)acetamido]phenyl}amino)pyrimidin-5-yl]-5-[3-(trifluoromethyl)benzamido]benzamide

SMILES

C=CC(=O)NCC(=O)Nc1cccc(c1)Nc1ncc(cn1)NC(=O)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F

InChIKey

SMOPKEHQPPXRSH-UHFFFAOYSA-N

InChI

1S/C31H26F3N7O4/c1-3-26(42)35-17-27(43)38-21-8-5-9-22(13-21)41-30-36-15-24(16-37-30)40-29(45)25-14-23(11-10-18(25)2)39-28(44)19-6-4-7-20(12-19)31(32,33)34/h3-16H,1,17H2,2H3,(H,35,42)(H,38,43)(H,39,44)显示更多

关联靶标

Receptor tyrosine-protein kinase erbB-4, Receptor tyrosine-protein kinase erbB-2, Epidermal growth factor receptor, Tyrosine-protein kinase TXK, Tyrosine-protein kinase Tec, Tyrosine-protein kinase BTK, Cytoplasmic tyrosine-protein kinase BMX, Tyrosine-protein kinase Blk

2-methyl-N-(2-{[3-(prop-2-enamido)phenyl]amino}pyrimidin-5-yl)-5-[3-(trifluoromethyl)benzamido]benzamide

技术标识符

IUPAC名称

2-methyl-N-(2-{[3-(prop-2-enamido)phenyl]amino}pyrimidin-5-yl)-5-[3-(trifluoromethyl)benzamido]benzamide

SMILES

C=CC(=O)Nc1cccc(c1)Nc1ncc(cn1)NC(=O)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F

InChIKey

BTWVWABAWDKQNJ-UHFFFAOYSA-N

InChI

1S/C29H23F3N6O3/c1-3-25(39)35-20-8-5-9-21(13-20)38-28-33-15-23(16-34-28)37-27(41)24-14-22(11-10-17(24)2)36-26(40)18-6-4-7-19(12-18)29(30,31)32/h3-16H,1H2,2H3,(H,35,39)(H,36,40)(H,37,41)(H,33,34,38)

关联靶标

Receptor tyrosine-protein kinase erbB-4, Receptor tyrosine-protein kinase erbB-2, Epidermal growth factor receptor, Tyrosine-protein kinase TXK, Tyrosine-protein kinase Tec, Tyrosine-protein kinase BTK, Cytoplasmic tyrosine-protein kinase BMX, Tyrosine-protein kinase Blk

risvodetinib

技术标识符

SMILES

Cc1c(cc(cc1)NC(=O)c1ccc(cc1)CN1CCN(CC1)C)Nc1nccc(n1)c1cc(cnc1)c1c(cno1)C

InChIKey

ADGOPPKEIZXKAZ-UHFFFAOYSA-N

InChI

1S/C33H34N8O2/c1-22-4-9-28(37-32(42)25-7-5-24(6-8-25)21-41-14-12-40(3)13-15-41)17-30(22)39-33-35-11-10-29(38-33)26-16-27(20-34-19-26)31-23(2)18-36-43-31/h4-11,16-20H,12-15,21H2,1-3H3,(H,37,42)(H,35,38显示更多

关联靶标

Tyrosine-protein kinase ABL2, Tyrosine-protein kinase ABL1, Mast/stem cell growth factor receptor Kit

example 98 [WO2011020806]

技术标识符

IUPAC名称

N-{3-[(3R)-5-amino-3-methyl-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-5-chloro-3-methylpyridine-2-carboxamide

SMILES

Clc1cnc(c(c1)C)C(=O)Nc1ccc(c(c1)[C@]1(C)COCC(=N1)N)F

InChIKey

RAFVKOLBEOKYJW-SFHVURJKSA-N

InChI

1S/C18H18ClFN4O2/c1-10-5-11(19)7-22-16(10)17(25)23-12-3-4-14(20)13(6-12)18(2)9-26-8-15(21)24-18/h3-7H,8-9H2,1-2H3,(H2,21,24)(H,23,25)/t18-/m0/s1

关联靶标

Beta-secretase 2

example 92 [WO2012095521]

技术标识符

IUPAC名称

N-[3-[(3R)-5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloro-3-methylpyridine-2-carboxamide

SMILES

FC[C@]1(COCC(=N1)N)c1cc(ccc1F)NC(=O)c1ncc(cc1C)Cl

InChIKey

NQNLROFWOGGJGK-SFHVURJKSA-N

InChI

1S/C18H17ClF2N4O2/c1-10-4-11(19)6-23-16(10)17(26)24-12-2-3-14(21)13(5-12)18(8-20)9-27-7-15(22)25-18/h2-6H,7-9H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1

关联靶标

Beta-secretase 1, Beta-secretase 2