咪唑类

CGP 20712A

技术标识符

IUPAC名称

2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide

SMILES

CN1C=C(N=C1C2=CC=C(C=C2)OCC(CNCCOC3=CC(=C(C=C3)O)C(=O)N)O)C(F)(F)F

InChIKey

GKJZEKSHCJELPL-UHFFFAOYSA-N

InChI

1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)

关联靶标

Beta-3 adrenergic receptor, Beta-1 adrenergic receptor

BIA 10-2639

技术标识符

IUPAC名称

N-cyclohexyl-N-methyl-4-pyridin-3-ylimidazole-1-carboxamide

SMILES

CN(C(=O)n1cnc(c1)c1cccnc1)C1CCCCC1

InChIKey

DWCWWJONKWHPDD-UHFFFAOYSA-N

InChI

1S/C16H20N4O/c1-19(14-7-3-2-4-8-14)16(21)20-11-15(18-12-20)13-6-5-9-17-10-13/h5-6,9-12,14H,2-4,7-8H2,1H3

关联靶标

Fatty-acid amide hydrolase 1

4-[5-(1-methylpyrazol-4-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]imidazol-4-yl]benzonitrile

技术标识符

SMILES

N#Cc1ccc(cc1)c1n(cnc1c1cnn(c1)C)CCn1nnc(c1)C

InChIKey

YPRKVQKJNRKXFN-UHFFFAOYSA-N

InChI

1S/C19H18N8/c1-14-11-27(24-23-14)8-7-26-13-21-18(17-10-22-25(2)12-17)19(26)16-5-3-15(9-20)4-6-16/h3-6,10-13H,7-8H2,1-2H3

关联靶标

Bromodomain adjacent to zinc finger domain protein 2A, Bromodomain adjacent to zinc finger domain protein 2B

4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]benzonitrile

技术标识符

IUPAC名称

4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]benzonitrile

SMILES

N#Cc1ccc(cc1)c1n(cnc1c1ccccc1)CCn1nnc(c1)C

InChIKey

OAPIWVHFYSEARE-UHFFFAOYSA-N

InChI

1S/C21H18N6/c1-16-14-27(25-24-16)12-11-26-15-23-20(18-5-3-2-4-6-18)21(26)19-9-7-17(13-22)8-10-19/h2-10,14-15H,11-12H2,1H3

关联靶标

Bromodomain adjacent to zinc finger domain protein 2B

2-(4-ethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide

技术标识符

IUPAC名称

2-(4-ethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide

SMILES

CCOc1ccc(cc1)c1nc(C(=O)N)c2c(n1)n(c(=O)[nH]2)c1ccccc1OC

InChIKey

FFKCRLSRMMVTAN-UHFFFAOYSA-N

InChI

1S/C21H19N5O4/c1-3-30-13-10-8-12(9-11-13)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)14-6-4-5-7-15(14)29-2/h4-11H,3H2,1-2H3,(H2,22,27)(H,24,28)

2-(3-iodophenyl)histamine

技术标识符

IUPAC名称

2-[2-(3-iodophenyl)-3H-imidazol-4-yl]ethanamine

SMILES

NCCc1cnc([nH]1)c1cccc(c1)I

InChIKey

OPICWPJAKDPOOB-UHFFFAOYSA-N

InChI

1S/C11H12IN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)

关联靶标

Histamine H1 receptor

2-(3-chlorophenyl)histamine

技术标识符

IUPAC名称

2-[2-(3-chlorophenyl)-3H-imidazol-4-yl]ethanamine

SMILES

NCCc1cnc([nH]1)c1cccc(c1)Cl

InChIKey

DHGUFKPZDMQBED-UHFFFAOYSA-N

InChI

1S/C11H12ClN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)

关联靶标

Histamine H1 receptor

1-(4-fluorophenyl)-2,5-dimethyl-N-(6-methylpyridin-2-yl)-1H-imidazole-4-carboxamide

技术标识符

IUPAC名称

1-(4-fluorophenyl)-2,5-dimethyl-N-(6-methylpyridin-2-yl)-1H-imidazole-4-carboxamide

SMILES

Fc1ccc(cc1)n1c(C)nc(c1C)C(=O)Nc1cccc(n1)C

InChIKey

YQFYIHPLHNEXNE-UHFFFAOYSA-N

InChI

1S/C18H17FN4O/c1-11-5-4-6-16(20-11)22-18(24)17-12(2)23(13(3)21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3,(H,20,22,24)

关联靶标

Metabotropic glutamate receptor 5

(3R,5S,6E)-7-[5-(4-fluorophenyl)-2-(propan-2-yl)-4-(pyridin-3-yl)-1H-imidazol-1-yl]-3,5-dihydroxyhept-6-enoate

技术标识符

IUPAC名称

(3R,5S,6E)-7-[5-(4-fluorophenyl)-2-(propan-2-yl)-4-(pyridin-3-yl)-1H-imidazol-1-yl]-3,5-dihydroxyhept-6-enoate

SMILES

O[C@H](C[C@@H](/C=C/n1c(nc(c1c1ccc(cc1)F)c1cccnc1)C(C)C)O)CC(=O)[O-]

InChIKey

ALLUALRNIBGJAM-MBUYQLGJSA-M

InChI

1S/C24H26FN3O4/c1-15(2)24-27-22(17-4-3-10-26-14-17)23(16-5-7-18(25)8-6-16)28(24)11-9-19(29)12-20(30)13-21(31)32/h3-11,14-15,19-20,29-30H,12-13H2,1-2H3,(H,31,32)/p-1/b11-9+/t19-,20-/m1/s1

关联靶标

3-hydroxy-3-methylglutaryl-coenzyme A reductase

(3R,5S,6E)-7-[2,4-bis(4-fluorophenyl)-5-(propan-2-yl)-1H-imidazol-1-yl]-3,5-dihydroxyhept-6-enoate

技术标识符

IUPAC名称

(3R,5S,6E)-7-[2,4-bis(4-fluorophenyl)-5-(propan-2-yl)-1H-imidazol-1-yl]-3,5-dihydroxyhept-6-enoate

SMILES

O[C@H](C[C@@H](/C=C/n1c(nc(c1C(C)C)c1ccc(cc1)F)c1ccc(cc1)F)O)CC(=O)[O-]

InChIKey

TVIKMEWXHYDWEQ-LKWCPCFXSA-M

InChI

1S/C25H26F2N2O4/c1-15(2)24-23(16-3-7-18(26)8-4-16)28-25(17-5-9-19(27)10-6-17)29(24)12-11-20(30)13-21(31)14-22(32)33/h3-12,15,20-21,30-31H,13-14H2,1-2H3,(H,32,33)/p-1/b12-11+/t20-,21-/m1/s1

关联靶标

3-hydroxy-3-methylglutaryl-coenzyme A reductase

(3R,5S,6E)-7-[1-(4-fluorophenyl)-2-phenyl-4-(propan-2-yl)-1H-imidazol-5-yl]-3,5-dihydroxyhept-6-enoate

技术标识符

IUPAC名称

(3R,5S,6E)-7-[1-(4-fluorophenyl)-2-phenyl-4-(propan-2-yl)-1H-imidazol-5-yl]-3,5-dihydroxyhept-6-enoate

SMILES

O[C@H](C[C@@H](/C=C/c1c(nc(n1c1ccc(cc1)F)c1ccccc1)C(C)C)O)CC(=O)[O-]

InChIKey

ZYZCALPXKGUGJI-DDVDASKDSA-M

InChI

1S/C25H27FN2O4/c1-16(2)24-22(13-12-20(29)14-21(30)15-23(31)32)28(19-10-8-18(26)9-11-19)25(27-24)17-6-4-3-5-7-17/h3-13,16,20-21,29-30H,14-15H2,1-2H3,(H,31,32)/p-1/b13-12+/t20-,21-/m1/s1

关联靶标

3-hydroxy-3-methylglutaryl-coenzyme A reductase

(2S)-2-(2-aminoethoxy)-3-(1-phenylimidazol-4-yl)propanoic acid

技术标识符

IUPAC名称

(2S)-2-(2-aminoethoxy)-3-(1-phenylimidazol-4-yl)propanoic acid

SMILES

NCCO[C@H](C(=O)O)Cc1ncn(c1)c1ccccc1

InChIKey

LVCATUGNENEDGZ-ZDUSSCGKSA-N

InChI

1S/C14H17N3O3/c15-6-7-20-13(14(18)19)8-11-9-17(10-16-11)12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,15H2,(H,18,19)/t13-/m0/s1

关联靶标

Carboxypeptidase B2, Carboxypeptidase B