联苯及其衍生物

LY-465608

技术标识符

IUPAC名称

2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoic acid

SMILES

Cc1oc(nc1CCOc1ccc(cc1)OC(C(=O)O)(C)C)c1ccc(cc1)c1ccccc1

InChIKey

JDJHTJNBMZSSLK-UHFFFAOYSA-N

InChI

1S/C28H27NO5/c1-19-25(17-18-32-23-13-15-24(16-14-23)34-28(2,3)27(30)31)29-26(33-19)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,30,31)

关联靶标

Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma

LLY-507

技术标识符

IUPAC名称

3-cyano-5-(2-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}phenyl)-N-[3-(pyrrolidin-1-yl)propyl]benzamide

SMILES

N#Cc1cc(cc(c1)c1ccccc1N1CCN(CC1)CCn1cc(c2c1cccc2)C)C(=O)NCCCN1CCCC1

InChIKey

PNYRDVBFYVDJJI-UHFFFAOYSA-N

InChI

1S/C36H42N6O/c1-28-27-42(34-11-4-2-9-32(28)34)22-19-40-17-20-41(21-18-40)35-12-5-3-10-33(35)30-23-29(26-37)24-31(25-30)36(43)38-13-8-16-39-14-6-7-15-39/h2-5,9-12,23-25,27H,6-8,13-22H2,1H3,(H,38,43)

关联靶标

N-lysine methyltransferase SMYD2

LSN2424100

技术标识符

IUPAC名称

4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzene-1-sulfonamide

SMILES

Fc1ccc(cc1)S(=O)(=O)N(c1ccccc1c1ccccc1)Cc1[nH]ccn1

InChIKey

PCDMCECXKAELMI-UHFFFAOYSA-N

InChI

1S/C22H18FN3O2S/c23-18-10-12-19(13-11-18)29(27,28)26(16-22-24-14-15-25-22)21-9-5-4-8-20(21)17-6-2-1-3-7-17/h1-15H,16H2,(H,24,25)

关联靶标

Orexin receptor type 1, Orexin receptor type 2

Grp94 inhibitor 54

技术标识符

IUPAC名称

4'-(propan-2-yl)-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}-[1,1'-biphenyl]-3-carboxamide

SMILES

O[C@@H]1CC[C@H](CC1)Nc1ccc(cc1C(=O)N)c1ccc(cc1)C(C)C

InChIKey

JMGDXIHGWTVBMX-WGSAOQKQSA-N

InChI

1S/C22H28N2O2/c1-14(2)15-3-5-16(6-4-15)17-7-12-21(20(13-17)22(23)26)24-18-8-10-19(25)11-9-18/h3-7,12-14,18-19,24-25H,8-11H2,1-2H3,(H2,23,26)/t18-,19-

关联靶标

Endoplasmin

HM50316

技术标识符

IUPAC名称

2-[3-[2-[1-(4-chlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]phenyl]phenoxy]-2-methylpropanoic acid

SMILES

Clc1ccc(cc1)n1nc(cc1c1cccs1)c1ccccc1c1cccc(c1)OC(C(=O)O)(C)C

InChIKey

HOACFVYJBHHSBC-UHFFFAOYSA-N

InChI

1S/C29H23ClN2O3S/c1-29(2,28(33)34)35-22-8-5-7-19(17-22)23-9-3-4-10-24(23)25-18-26(27-11-6-16-36-27)32(31-25)21-14-12-20(30)13-15-21/h3-18H,1-2H3,(H,33,34)

关联靶标

Fatty acid-binding protein, adipocyte

CCT365623

技术标识符

IUPAC名称

[5-(3-methylsulfonyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine

SMILES

NCc1ccc(s1)S(=O)(=O)c1cc(cc(c1)S(=O)(=O)C)c1ccccc1

InChIKey

ADIBEGOVRYXDOX-UHFFFAOYSA-N

InChI

1S/C18H17NO4S3/c1-25(20,21)16-9-14(13-5-3-2-4-6-13)10-17(11-16)26(22,23)18-8-7-15(12-19)24-18/h2-11H,12,19H2,1H3

关联靶标

Lysyl oxidase homolog 2, Protein-lysine 6-oxidase

AH23848 (racemic)

技术标识符

IUPAC名称

(E)-7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid

SMILES

OC(=O)CC/C=C/CCC1C(OCc2ccc(cc2)c2ccccc2)CC(=O)C1N1CCOCC1

InChIKey

IOFUFYLETVNNRF-OWOJBTEDSA-N

InChI

1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,33)/b2-1+

关联靶标

Prostaglandin E2 receptor EP4 subtype

3-[2-(4-phenylphenyl)ethynyl]-1-azabicyclo[2.2.2]octan-3-ol

技术标识符

IUPAC名称

3-[2-(4-phenylphenyl)ethynyl]-1-azabicyclo[2.2.2]octan-3-ol

SMILES

OC1(CN2CCC1CC2)C#Cc1ccc(cc1)c1ccccc1

InChIKey

MWHQFRXYYJSIFR-UHFFFAOYSA-N

InChI

1S/C21H21NO/c23-21(16-22-14-11-20(21)12-15-22)13-10-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,20,23H,11-12,14-16H2

关联靶标

Squalene synthase

3-[2-(4-phenylphenyl)ethyl]-1-azabicyclo[2.2.2]octane

技术标识符

IUPAC名称

3-[2-(4-phenylphenyl)ethyl]-1-azabicyclo[2.2.2]octane

SMILES

C(C1CN2CCC1CC2)Cc1ccc(cc1)c1ccccc1

InChIKey

DZTCLALNSKOSGM-UHFFFAOYSA-N

InChI

1S/C21H25N/c1-2-4-18(5-3-1)19-9-6-17(7-10-19)8-11-21-16-22-14-12-20(21)13-15-22/h1-7,9-10,20-21H,8,11-16H2

关联靶标

Squalene synthase

3-[1-[(4-chlorophenyl)methyl]-5-[3-fluoro-4-(2-methylphenyl)phenyl]-3-methylindol-2-yl]-2,2-dimethylpropanoic acid

技术标识符

IUPAC名称

3-[1-[(4-chlorophenyl)methyl]-5-[3-fluoro-4-(2-methylphenyl)phenyl]-3-methylindol-2-yl]-2,2-dimethylpropanoic acid

SMILES

Clc1ccc(cc1)Cn1c(CC(C(=O)O)(C)C)c(c2c1ccc(c2)c1ccc(c(c1)F)c1ccccc1C)C

InChIKey

IYCJVTFMIQICDJ-UHFFFAOYSA-N

InChI

1S/C34H31ClFNO2/c1-21-7-5-6-8-27(21)28-15-11-25(18-30(28)36)24-12-16-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-9-13-26(35)14-10-23/h5-18H,19-20H2,1-4H3,(H,38,39)

关联靶标

Prostaglandin E synthase, Thromboxane-A synthase, Prostaglandin E synthase 2

2-[(4-phenylphenyl)sulfonylamino]acetic acid

技术标识符

IUPAC名称

2-[(4-phenylphenyl)sulfonylamino]acetic acid

SMILES

OC(=O)CNS(=O)(=O)c1ccc(cc1)c1ccccc1

InChIKey

ZIAFXLGSGMQYPL-UHFFFAOYSA-N

InChI

1S/C14H13NO4S/c16-14(17)10-15-20(18,19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)

关联靶标

Macrophage metalloelastase

(4R)-6-[2-(4-fluorophenyl)-4,6-bis(propan-2-yl)phenoxymethyl]-4-hydroxyoxan-2-one

技术标识符

IUPAC名称

(4R)-6-[2-(4-fluorophenyl)-4,6-bis(propan-2-yl)phenoxymethyl]-4-hydroxyoxan-2-one

SMILES

O[C@@H]1CC(COc2c(cc(cc2c2ccc(cc2)F)C(C)C)C(C)C)OC(=O)C1

InChIKey

JMEOINPEUMGNEF-FIWHBWSRSA-N

InChI

1S/C24H29FO4/c1-14(2)17-9-21(15(3)4)24(22(10-17)16-5-7-18(25)8-6-16)28-13-20-11-19(26)12-23(27)29-20/h5-10,14-15,19-20,26H,11-13H2,1-4H3/t19-,20?/m1/s1

关联靶标

3-hydroxy-3-methylglutaryl-coenzyme A reductase