芳香族苯胺

RN-9893

技术标识符

IUPAC名称

2-nitro-N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-(trifluoromethyl)benzamide

SMILES

CC(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)C

InChIKey

KORKKQLDGMHNKO-UHFFFAOYSA-N

InChI

1S/C21H23F3N4O5S/c1-14(2)26-9-11-27(12-10-26)34(32,33)17-6-4-16(5-7-17)25-20(29)18-8-3-15(21(22,23)24)13-19(18)28(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,25,29)

关联靶标

Transient receptor potential cation channel subfamily V member 4

RIPK3 inhibitor 18

技术标识符

IUPAC名称

N-{4-[(2-cyclopropaneamidopyridin-4-yl)oxy]-2,3-dimethylphenyl}-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

SMILES

O=C(C1CC1)Nc1nccc(c1)Oc1ccc(c(c1C)C)NC(=O)c1cccn(c1=O)c1ccc(cc1)F

InChIKey

PETCZXAONWLUFT-UHFFFAOYSA-N

InChI

1S/C29H25FN4O4/c1-17-18(2)25(38-22-13-14-31-26(16-22)33-27(35)19-5-6-19)12-11-24(17)32-28(36)23-4-3-15-34(29(23)37)21-9-7-20(30)8-10-21/h3-4,7-16,19H,5-6H2,1-2H3,(H,32,36)(H,31,33,35)

关联靶标

Ephrin type-A receptor 8, Ephrin type-A receptor 5, Discoidin domain-containing receptor 2, RAF proto-oncogene serine/threonine-protein kinase, Ephrin type-B receptor 2, Tyrosine-protein kinase Fgr, Hepatocyte growth factor receptor, Receptor-interacting serine/threonine-protein kinase 3, Receptor-interacting serine/threonine-protein kinase 1, Mitogen-activated protein kinase kinase kinase kinase 3

RO5508887

技术标识符

IUPAC名称

N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide

SMILES

N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]1(C)N=C(N)OCC1(F)F)F

InChIKey

DVMUZHLUMHPCGZ-QGZVFWFLSA-N

InChI

1S/C18H14F3N5O2/c1-17(18(20,21)9-28-16(23)26-17)12-6-11(3-4-13(12)19)25-15(27)14-5-2-10(7-22)8-24-14/h2-6,8H,9H2,1H3,(H2,23,26)(H,25,27)/t17-/m1/s1

关联靶标

Beta-secretase 1, Beta-secretase 2

PF-06684511

技术标识符

IUPAC名称

N-[3-[(4aS,5S,7aS)-2-amino-5-(fluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide

SMILES

FC[C@H]1OC[C@]2([C@@H]1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)OC

InChIKey

YZXTXNWZTAVDKH-KPAZRMRSSA-N

InChI

1S/C19H19F2N5O3S/c1-28-16-7-23-14(6-24-16)17(27)25-10-2-3-13(21)11(4-10)19-9-29-15(5-20)12(19)8-30-18(22)26-19/h2-4,6-7,12,15H,5,8-9H2,1H3,(H2,22,26)(H,25,27)/t12-,15-,19-/m1/s1

关联靶标

Beta-secretase 1

PGN-9856

技术标识符

IUPAC名称

2-[3-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenoxy]acetic acid

SMILES

OC(=O)COc1cccc(c1)NC(=O)c1cc(ccc1F)c1cccc(c1)F

InChIKey

HZJWJNHYKNSGAT-UHFFFAOYSA-N

InChI

1S/C21H15F2NO4/c22-15-4-1-3-13(9-15)14-7-8-19(23)18(10-14)21(27)24-16-5-2-6-17(11-16)28-12-20(25)26/h1-11H,12H2,(H,24,27)(H,25,26)

关联靶标

Prostaglandin E2 receptor EP2 subtype

N-{2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl}-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide

技术标识符

IUPAC名称

N-{2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl}-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide

SMILES

NCC1CCN(CC1)c1ccc(cc1NC(=O)c1cnn2c1ncc(c2)O)Cl

InChIKey

BNVZRFQNZWYPQH-UHFFFAOYSA-N

InChI

1S/C19H21ClN6O2/c20-13-1-2-17(25-5-3-12(8-21)4-6-25)16(7-13)24-19(28)15-10-23-26-11-14(27)9-22-18(15)26/h1-2,7,9-12,27H,3-6,8,21H2,(H,24,28)

关联靶标

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

N-[5-[[(3-fluorophenyl)carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

技术标识符

IUPAC名称

N-[5-[[(3-fluorophenyl)carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

SMILES

O=C(Nc1cccc(c1)F)NCc1ccc(c(c1)NC(=O)c1cnc2n1cccc2)C

InChIKey

ZPVUIOVIUFJGHO-UHFFFAOYSA-N

InChI

1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31)

关联靶标

Discoidin domain-containing receptor 2, Epithelial discoidin domain-containing receptor 1, Mast/stem cell growth factor receptor Kit

N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide

技术标识符

IUPAC名称

N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide

SMILES

Clc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@]1(C)CCSC(=N1)N)F

InChIKey

VVZZZUNCWSTIOI-KRWDZBQOSA-N

InChI

1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1

关联靶标

Beta-secretase 1, Beta-secretase 2

N-[3-(4-methylpiperazine-1-carbonyl)-2-propan-2-yloxyphenyl]-4-oxo-1H-thieno[3,2-d]pyrimidine-7-carboxamide

技术标识符

IUPAC名称

N-[3-(4-methylpiperazine-1-carbonyl)-2-propan-2-yloxyphenyl]-4-oxo-1H-thieno[3,2-d]pyrimidine-7-carboxamide

SMILES

CN1CCN(CC1)C(=O)c1cccc(c1OC(C)C)NC(=O)c1csc2c1nc[nH]c2=O

InChIKey

MJJJFOLDERHCND-UHFFFAOYSA-N

InChI

1S/C22H25N5O4S/c1-13(2)31-18-14(22(30)27-9-7-26(3)8-10-27)5-4-6-16(18)25-20(28)15-11-32-19-17(15)23-12-24-21(19)29/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H,23,24,29)

关联靶标

Mitogen-activated protein kinase kinase kinase 7

MRT-92

技术标识符

IUPAC名称

3,4,5-trimethoxy-N-[N'-[4-methyl-3-[[4-(2-phenylethyl)benzoyl]amino]phenyl]carbamimidoyl]benzamide

SMILES

COc1cc(cc(c1OC)OC)C(=O)NC(=N)Nc1ccc(c(c1)NC(=O)c1ccc(cc1)CCc1ccccc1)C

InChIKey

TVUOHEUCOWBVRU-UHFFFAOYSA-N

InChI

1S/C33H34N4O5/c1-21-10-17-26(35-33(34)37-32(39)25-18-28(40-2)30(42-4)29(19-25)41-3)20-27(21)36-31(38)24-15-13-23(14-16-24)12-11-22-8-6-5-7-9-22/h5-10,13-20H,11-12H2,1-4H3,(H,36,38)(H3,34,35,37,39)

关联靶标

Smoothened homolog

LY3202626

技术标识符

SMILES

COc1c[n]c(c[n]1)C(=O)Nc1ccc(c(c1)[C@]12N=C(N)SC[C@@H]2CN(C1)c1[n]cc(c[n]1)F)F

InChIKey

VQSRKMNBWMHJKY-YTEVENLXSA-N

InChI

1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1

关联靶标

Beta-secretase 1

JNJ-28312141

技术标识符

IUPAC名称

5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide

SMILES

CN(C)CC(=O)N1CCC(CC1)C2=CC(=C(C=C2)NC(=O)C3=NC=C(N3)C#N)C4=CCCCC4

InChIKey

GUBJNPWVIUFSTR-UHFFFAOYSA-N

InChI

1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34)

关联靶标

Macrophage colony-stimulating factor 1 receptor, Receptor-type tyrosine-protein kinase FLT3, Tyrosine-protein kinase Lck, Tyrosine-protein kinase receptor UFO, Mast/stem cell growth factor receptor Kit, High affinity nerve growth factor receptor