苯胺类

[¹¹C]AZ10419369

技术标识符

IUPAC名称

5-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide

SMILES

[11CH3]N1CCN(CC1)c1ccc(c2c1oc(cc2=O)C(=O)Nc1ccc(cc1)N1CCOCC1)C

InChIKey

JKPWOPNZKYPRPZ-JVVVGQRLSA-N

InChI

1S/C26H30N4O4/c1-18-3-8-21(30-11-9-28(2)10-12-30)25-24(18)22(31)17-23(34-25)26(32)27-19-4-6-20(7-5-19)29-13-15-33-16-14-29/h3-8,17H,9-16H2,1-2H3,(H,27,32)/i2-1

关联靶标

5-hydroxytryptamine receptor 1B

[³H]GR 125,743

技术标识符

IUPAC名称

N-[4-methoxy-3-[4-(tritritiomethyl)piperazin-1-yl]phenyl]-3-methyl-4-pyridin-4-ylbenzamide

SMILES

COc1ccc(cc1N1CCN(CC1)C([3H])([3H])[3H])NC(=O)c1ccc(c(c1)C)c1ccncc1

InChIKey

GNOXPYACARZYMW-BHTRQJOGSA-N

InChI

1S/C25H28N4O2/c1-18-16-20(4-6-22(18)19-8-10-26-11-9-19)25(30)27-21-5-7-24(31-3)23(17-21)29-14-12-28(2)13-15-29/h4-11,16-17H,12-15H2,1-3H3,(H,27,30)/i2T3

关联靶标

5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D

[³H]ETB-TBOA

技术标识符

IUPAC名称

(2S,3S)-2-amino-3-[(3-{4-[(1,2-³H₂)ethyl]benzamido}phenyl)methoxy]butanedioic acid

SMILES

C([3H])C(c1ccc(cc1)C(=O)Nc1cccc(c1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O)[3H]

InChIKey

GFSLJGCKUUCABJ-YQFXYRMXSA-N

InChI

1S/C20H22N2O6/c1-2-12-6-8-14(9-7-12)18(23)22-15-5-3-4-13(10-15)11-28-17(20(26)27)16(21)19(24)25/h3-10,16-17H,2,11,21H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t16-,17-/m0/s1/i1T,2T/t2?,16-,17-

关联靶标

Excitatory amino acid transporter 3, Excitatory amino acid transporter 5, Excitatory amino acid transporter 1, Excitatory amino acid transporter 4, Excitatory amino acid transporter 2

[³H]N-methyl-AZ10419369

技术标识符

IUPAC名称

5-methyl-8-[4-(³H₃)methylpiperazin-1-yl]-N-[4-(morpholin-4-yl)phenyl]-4-oxo-4H-chromene-2-carboxamide

SMILES

O=C(c1cc(=O)c2c(o1)c(ccc2C)N1CCN(CC1)C([3H])([3H])[3H])Nc1ccc(cc1)N1CCOCC1

InChIKey

JKPWOPNZKYPRPZ-BHTRQJOGSA-N

InChI

1S/C26H30N4O4/c1-18-3-8-21(30-11-9-28(2)10-12-30)25-24(18)22(31)17-23(34-25)26(32)27-19-4-6-20(7-5-19)29-13-15-33-16-14-29/h3-8,17H,9-16H2,1-2H3,(H,27,32)/i2T3

关联靶标

5-hydroxytryptamine receptor 1B

ZM336372

技术标识符

IUPAC名称

3-dimethylamino-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamide

SMILES

Oc1ccc(cc1)C(=O)Nc1cc(ccc1C)NC(=O)c1cccc(c1)N(C)C

InChIKey

PYEFPDQFAZNXLI-UHFFFAOYSA-N

InChI

1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)

关联靶标

RAF proto-oncogene serine/threonine-protein kinase

[2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-phenylmethoxybenzoyl)amino]benzoate

技术标识符

IUPAC名称

[2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-phenylmethoxybenzoyl)amino]benzoate

SMILES

Clc1ccc(cc1)C(=O)COC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)OCc1ccccc1

InChIKey

CYKYMBAFNWGXGM-UHFFFAOYSA-N

InChI

1S/C29H22ClNO5/c30-24-13-9-21(10-14-24)27(32)19-36-29(34)22-11-15-25(16-12-22)31-28(33)23-7-4-8-26(17-23)35-18-20-5-2-1-3-6-20/h1-17H,18-19H2,(H,31,33)

关联靶标

Sentrin-specific protease 1

XMT-1191

技术标识符

IUPAC名称

(3S)-N-hydroxy-4-{4-[(4-hydroxybut-2-yn-1-yl)oxy]benzenesulfonyl}-2,2-dimethylthiomorpholine-3-carboxamide

SMILES

CO[C@@H]1[C@@H](CC[C@@]2([C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)CO2)OC(=O)NCc1ccc(cc1)NC(=O)CCCC(=O)O

InChIKey

HRLDHINFRLTOEQ-UZHVHHFFSA-N

InChI

1S/C29H40N2O8/c1-18(2)8-13-22-28(3,39-22)26-25(36-4)21(14-15-29(26)17-37-29)38-27(35)30-16-19-9-11-20(12-10-19)31-23(32)6-5-7-24(33)34/h8-12,21-22,25-26H,5-7,13-17H2,1-4H3,(H,30,35)(H,31,32)(H,33,34)/显示更多

关联靶标

Methionine aminopeptidase 2

YM 218

技术标识符

IUPAC名称

N-[4-[(5Z)-4,4-difluoro-5-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethylidene]2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide

SMILES

O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C

InChIKey

VDUUABBYYOPFAW-WMMMYUQOSA-N

InChI

1S/C35H38F2N4O4/c1-24-28(15-22-45-24)33(43)38-26-11-9-25(10-12-26)34(44)41-21-16-35(36,37)30(29-7-3-4-8-31(29)41)23-32(42)40-19-13-27(14-20-40)39-17-5-2-6-18-39/h3-4,7-12,15,22-23,27H,2,5-6,13-14,16-2显示更多

关联靶标

Vasopressin V1a receptor, Vasopressin V1b receptor, Vasopressin V2 receptor, Oxytocin receptor

YM 471

技术标识符

IUPAC名称

N-[4-[(5Z)-5-[2-(4-dimethylaminopiperidin-1-yl)-2-oxoethylidene]-4,4-difluoro2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-phenylbenzamide

SMILES

CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C

InChIKey

ICRPTZMWRJGNQI-CLIDGEQKSA-N

InChI

1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,显示更多

关联靶标

Vasopressin V1a receptor, Vasopressin V1b receptor, Vasopressin V2 receptor

USP7/USP47 inhibitor

技术标识符

IUPAC名称

4-cyano-5-(3,5-dichloropyridin-4-yl)sulfanyl-N-(4-methylsulfonylphenyl)thiophene-2-carboxamide

SMILES

N#Cc1cc(sc1Sc1c(Cl)cncc1Cl)C(=O)Nc1ccc(cc1)S(=O)(=O)C

InChIKey

GUDJFFQZIISQJB-UHFFFAOYSA-N

InChI

1S/C18H11Cl2N3O3S3/c1-29(25,26)12-4-2-11(3-5-12)23-17(24)15-6-10(7-21)18(27-15)28-16-13(19)8-22-9-14(16)20/h2-6,8-9H,1H3,(H,23,24)

关联靶标

Ubiquitin carboxyl-terminal hydrolase 7, Ubiquitin carboxyl-terminal hydrolase 47

VER-246608

技术标识符

IUPAC名称

N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-[[4-[[(2,2-difluoroacetyl)amino]methyl]phenyl]methyl]-2,4-dihydroxybenzamide

SMILES

O=C(C(F)F)NCc1ccc(cc1)CN(C(=O)c1ccc(cc1O)O)c1ccc(cc1)c1nc(Cl)ncc1C

InChIKey

LCGNLQSOSJFLKR-UHFFFAOYSA-N

InChI

1S/C28H23ClF2N4O4/c1-16-13-33-28(29)34-24(16)19-6-8-20(9-7-19)35(27(39)22-11-10-21(36)12-23(22)37)15-18-4-2-17(3-5-18)14-32-26(38)25(30)31/h2-13,25,36-37H,14-15H2,1H3,(H,32,38)

关联靶标

[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial

SX-517

技术标识符

IUPAC名称

[2-[[5-[(4-fluorophenyl)carbamoyl]pyridin-2-yl]sulfanylmethyl]phenyl]boronic acid

SMILES

Fc1ccc(cc1)NC(=O)c1ccc(nc1)SCc1ccccc1B(O)O

InChIKey

VZRIHFZJVIOJBE-UHFFFAOYSA-N

InChI

1S/C19H16BFN2O3S/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,25-26H,12H2,(H,23,24)

关联靶标

C-X-C chemokine receptor type 2