苯基哌嗪类

VU0364289

技术标识符

IUPAC名称

2-{4-[2-(benzyloxy)acetyl]piperazin-1-yl}benzonitrile

SMILES

N#Cc1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1

InChIKey

LTPGKAICNBCBPT-UHFFFAOYSA-N

InChI

1S/C20H21N3O2/c21-14-18-8-4-5-9-19(18)22-10-12-23(13-11-22)20(24)16-25-15-17-6-2-1-3-7-17/h1-9H,10-13,15-16H2

关联靶标

Metabotropic glutamate receptor 5

WAY-100135

技术标识符

IUPAC名称

N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide

SMILES

COc1ccccc1N1CCN(CC1)CC(C(=O)NC(C)(C)C)c1ccccc1

InChIKey

UMTDAKAAYOXIKU-UHFFFAOYSA-N

InChI

1S/C24H33N3O2/c1-24(2,3)25-23(28)20(19-10-6-5-7-11-19)18-26-14-16-27(17-15-26)21-12-8-9-13-22(21)29-4/h5-13,20H,14-18H2,1-4H3,(H,25,28)

关联靶标

5-hydroxytryptamine receptor 1A

Ro-70-0004

技术标识符

IUPAC名称

3-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione

SMILES

Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C

InChIKey

WEZFJPKJUIGDPS-UHFFFAOYSA-N

InChI

1S/C20H24F4N4O3/c1-14-12-25-19(30)28(18(14)29)6-2-5-26-7-9-27(10-8-26)16-4-3-15(21)11-17(16)31-13-20(22,23)24/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30)

关联靶标

Alpha-1B adrenergic receptor, Alpha-1D adrenergic receptor, Alpha-1A adrenergic receptor

Ro-0505124

技术标识符

IUPAC名称

[4-amino-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-7-yl)methanone

SMILES

CN1CCN(CC1)c1ccc(cc1)Nc1nc(c(s1)C(=O)c1ccc2c(c1)OCCO2)N

InChIKey

YGEYFDLYGXSZCP-UHFFFAOYSA-N

InChI

1S/C23H25N5O3S/c1-27-8-10-28(11-9-27)17-5-3-16(4-6-17)25-23-26-22(24)21(32-23)20(29)15-2-7-18-19(14-15)31-13-12-30-18/h2-7,14H,8-13,24H2,1H3,(H,25,26)

关联靶标

Cyclin-dependent kinase 4, Serine/threonine-protein kinase 36

Ro 10-4548

技术标识符

IUPAC名称

N-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide

SMILES

COc1cc(ccc1O)N1CCN(CC1)CC(COc1ccccc1NC(=O)C)O

InChIKey

MXZGRDMOUWOERR-UHFFFAOYSA-N

InChI

1S/C22H29N3O5/c1-16(26)23-19-5-3-4-6-21(19)30-15-18(27)14-24-9-11-25(12-10-24)17-7-8-20(28)22(13-17)29-2/h3-8,13,18,27-28H,9-12,14-15H2,1-2H3,(H,23,26)

关联靶标

D(4) dopamine receptor

Rec 15/3079

技术标识符

IUPAC名称

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)cyclohexanecarboxamide

SMILES

COc1ccccc1N1CCN(CC1)CCN(c1ccccc1[N+](=O)[O-])C(=O)C1CCCCC1

InChIKey

HVMKWKIPLGPYAR-UHFFFAOYSA-N

InChI

1S/C26H34N4O4/c1-34-25-14-8-7-13-24(25)28-18-15-27(16-19-28)17-20-29(26(31)21-9-3-2-4-10-21)22-11-5-6-12-23(22)30(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3

关联靶标

5-hydroxytryptamine receptor 1A

OPC 4392

技术标识符

IUPAC名称

7-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]-1H-quinolin-2-one

SMILES

Cc1cccc(c1C)N1CCN(CC1)CCCOc1ccc2c(c1)[nH]c(=O)cc2

InChIKey

RRLWEQBPSAFVAS-UHFFFAOYSA-N

InChI

1S/C24H29N3O2/c1-18-5-3-6-23(19(18)2)27-14-12-26(13-15-27)11-4-16-29-21-9-7-20-8-10-24(28)25-22(20)17-21/h3,5-10,17H,4,11-16H2,1-2H3,(H,25,28)

关联靶标

5-hydroxytryptamine receptor 7, 5-hydroxytryptamine receptor 6

LP-211

技术标识符

IUPAC名称

N-[(4-cyanophenyl)methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide

SMILES

N#Cc1ccc(cc1)CNC(=O)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1

InChIKey

BQEDZLDNNBDKDS-UHFFFAOYSA-N

InChI

1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)

关联靶标

D(2) dopamine receptor, 5-hydroxytryptamine receptor 7, 5-hydroxytryptamine receptor 1A

LP-12

技术标识符

IUPAC名称

6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide

SMILES

O=C(NC1CCCc2c1cccc2)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1

InChIKey

NMZIDFFHGCRAJV-UHFFFAOYSA-N

InChI

1S/C32H39N3O/c36-32(33-30-18-11-15-26-14-6-7-16-28(26)30)20-5-2-10-21-34-22-24-35(25-23-34)31-19-9-8-17-29(31)27-12-3-1-4-13-27/h1,3-4,6-9,12-14,16-17,19,30H,2,5,10-11,15,18,20-25H2,(H,33,36)

关联靶标

D(2) dopamine receptor, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 7, 5-hydroxytryptamine receptor 1A

LP-44

技术标识符

IUPAC名称

6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide

SMILES

CSc1ccccc1N1CCN(CC1)CCCCCC(=O)NC1CCCc2c1cccc2

InChIKey

JNBBJUHCODFLEG-UHFFFAOYSA-N

InChI

1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)

关联靶标

D(2) dopamine receptor, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 7, 5-hydroxytryptamine receptor 1A

KB-74935

技术标识符

IUPAC名称

3-chloro-4-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylbenzamide

SMILES

Fc1ccc(c(c1)C(F)(F)F)N1CCN([C@@H](C1)C)S(=O)(=O)c1ccc(cc1Cl)C(=O)N

InChIKey

OMWNFYWEMXUREB-LLVKDONJSA-N

InChI

1S/C19H18ClF4N3O3S/c1-11-10-26(16-4-3-13(21)9-14(16)19(22,23)24)6-7-27(11)31(29,30)17-5-2-12(18(25)28)8-15(17)20/h2-5,8-9,11H,6-7,10H2,1H3,(H2,25,28)/t11-/m1/s1

关联靶标

Corticosteroid 11-beta-dehydrogenase isozyme 1

KMUP-1

技术标识符

IUPAC名称

7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione

SMILES

Clc1ccccc1N1CCN(CC1)CCn1cnc2c1c(=O)n(C)c(=O)n2C

InChIKey

NIDVDYQCGWISJZ-UHFFFAOYSA-N

InChI

1S/C19H23ClN6O2/c1-22-17-16(18(27)23(2)19(22)28)26(13-21-17)12-9-24-7-10-25(11-8-24)15-6-4-3-5-14(15)20/h3-6,13H,7-12H2,1-2H3

关联靶标

Alpha-1B adrenergic receptor, Alpha-1D adrenergic receptor, Alpha-1A adrenergic receptor