苯甲酰苯胺类

RWJ-351647

技术标识符

IUPAC名称

N-[4-[(4aS)-1,2,4,4a,5,11-hexahydro-[1,4]oxazino[3,4-c][1,4]benzodiazepine-6-carbonyl]-3-chlorophenyl]-2-phenylbenzamide

SMILES

Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1

InChIKey

TYWBAYRNYLDJBB-VWLOTQADSA-N

InChI

1S/C32H28ClN3O3/c33-29-18-24(34-31(37)27-12-6-5-11-26(27)22-8-2-1-3-9-22)14-15-28(29)32(38)36-20-25-21-39-17-16-35(25)19-23-10-4-7-13-30(23)36/h1-15,18,25H,16-17,19-21H2,(H,34,37)/t25-/m0/s1

关联靶标

Vasopressin V1a receptor, Vasopressin V2 receptor

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

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

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

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

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

VU6012962

技术标识符

IUPAC名称

4-(cyclopropylmethoxy)-3-methoxy-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide

SMILES

COc1cc(ccc1OCC1CC1)C(=O)Nc1cc(ccc1n1cncn1)OC(F)(F)F

InChIKey

IQNLJJLZIVCGFI-UHFFFAOYSA-N

InChI

1S/C21H19F3N4O4/c1-30-19-8-14(4-7-18(19)31-10-13-2-3-13)20(29)27-16-9-15(32-21(22,23)24)5-6-17(16)28-12-25-11-26-28/h4-9,11-13H,2-3,10H2,1H3,(H,27,29)

关联靶标

Metabotropic glutamate receptor 7

VU6010608

技术标识符

IUPAC名称

3,4-dimethoxy-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide

SMILES

COc1ccc(cc1OC)C(=O)Nc1cc(ccc1n1ncnc1)OC(F)(F)F

InChIKey

YCDOKDADFOBKIL-UHFFFAOYSA-N

InChI

1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)

关联靶标

Metabotropic glutamate receptor 7