苯基吡啶

5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-indole

技术标识符

IUPAC名称

5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-indole

SMILES

COc1cc(cc(c1OC)OC)c1cnc2c(c1)c(c[nH]2)c1ccc2c(c1)cc[nH]2

InChIKey

UQHKXSZPEUNUDH-UHFFFAOYSA-N

InChI

1S/C24H21N3O3/c1-28-21-10-16(11-22(29-2)23(21)30-3)17-9-18-19(13-27-24(18)26-12-17)14-4-5-20-15(8-14)6-7-25-20/h4-13,25H,1-3H3,(H,26,27)

关联靶标

Mitogen-activated protein kinase kinase kinase 11

5-(4-cyano-3-methylphenyl)-2-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pyridine-3-carbonitrile

技术标识符

IUPAC名称

5-(4-cyano-3-methylphenyl)-2-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pyridine-3-carbonitrile

SMILES

N#Cc1cc(cnc1N1CCC(CC1)c1onc(n1)C(C)C)c1ccc(c(c1)C)C#N

InChIKey

TXALYVIWRLTFFP-UHFFFAOYSA-N

InChI

1S/C24H24N6O/c1-15(2)22-28-24(31-29-22)17-6-8-30(9-7-17)23-20(13-26)11-21(14-27-23)18-4-5-19(12-25)16(3)10-18/h4-5,10-11,14-15,17H,6-9H2,1-3H3

关联靶标

Glucose-dependent insulinotropic receptor

3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]-1-{4-[(dimethylamino)methyl]-2,6-bis(propan-2-yl)phenyl}urea hydrochloride

技术标识符

IUPAC名称

3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]-1-{4-[(dimethylamino)methyl]-2,6-bis(propan-2-yl)phenyl}urea hydrochloride

SMILES

CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl

InChIKey

YCGQPIRMLGEWMW-UHFFFAOYSA-N

InChI

1S/C35H45N5O3.ClH/c1-9-10-17-40-33-27(15-12-16-36-33)30(25-13-11-14-26(20-25)43-8)32(34(40)41)38-35(42)37-31-28(22(2)3)18-24(21-39(6)7)19-29(31)23(4)5;/h11-16,18-20,22-23H,9-10,17,21H2,1-8H3,(H2,37,38显示更多

关联靶标

Acetyl-CoA acetyltransferase, mitochondrial

2-[3-methoxy-4-(pyridin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole

技术标识符

IUPAC名称

2-[3-methoxy-4-(pyridin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole

SMILES

COc1cc(ccc1c1ccccn1)C1Nc2c(O1)cccc2

InChIKey

DNFFCLRSKDXRKM-UHFFFAOYSA-N

InChI

1S/C19H16N2O2/c1-22-18-12-13(9-10-14(18)15-6-4-5-11-20-15)19-21-16-7-2-3-8-17(16)23-19/h2-12,19,21H,1H3

关联靶标

Metabotropic glutamate receptor 5

2-cyclohexyl-5,7-di(phenyl)-1H-imidazo[4,5-b]pyridine

技术标识符

IUPAC名称

2-cyclohexyl-5,7-di(phenyl)-1H-imidazo[4,5-b]pyridine

SMILES

C1CCC(CC1)c1nc2c([nH]1)nc(cc2c1ccccc1)c1ccccc1

InChIKey

DXBBMCIVYYJMJC-UHFFFAOYSA-N

InChI

1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27)

关联靶标

Adenosine receptor A2a, Adenosine receptor A2b, Adenosine receptor A1, Adenosine receptor A3

1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-{1-butyl-4-[3-(3-cyclohexylpropoxy)phenyl]-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl}urea dihydrochloride

技术标识符

IUPAC名称

1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-{1-butyl-4-[3-(3-cyclohexylpropoxy)phenyl]-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl}urea dihydrochloride

SMILES

CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCC1CCCCC1.Cl.Cl

InChIKey

ZFNNBIMQDHBELV-UHFFFAOYSA-N

InChI

1S/C40H53N5O3.2ClH/c1-6-7-21-45-38-32(19-12-20-42-38)35(29-17-11-18-31(23-29)48-22-13-16-28-14-9-8-10-15-28)37(39(45)46)44-40(47)43-36-33(26(2)3)24-30(41)25-34(36)27(4)5;;/h11-12,17-20,23-28H,6-10,13-显示更多

关联靶标

Acetyl-CoA acetyltransferase, mitochondrial

1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride

技术标识符

IUPAC名称

1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride

SMILES

CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl

InChIKey

NPAVKCDQHSYXFT-UHFFFAOYSA-N

InChI

1S/C32H39N5O3.ClH/c1-7-8-15-37-30-24(13-10-14-34-30)27(21-11-9-12-23(16-21)40-6)29(31(37)38)36-32(39)35-28-25(19(2)3)17-22(33)18-26(28)20(4)5;/h9-14,16-20H,7-8,15,33H2,1-6H3,(H2,35,36,39);1H

关联靶标

Acetyl-CoA acetyltransferase, mitochondrial

1-[4-[4-[2-[4-chloro-3-(diethylsulfamoyl)anilino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methylurea

技术标识符

IUPAC名称

1-[4-[4-[2-[4-chloro-3-(diethylsulfamoyl)anilino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methylurea

SMILES

CNC(=O)Nc1ccc(cc1)c1nccc(c1)c1ccnc(n1)Nc1ccc(c(c1)S(=O)(=O)N(CC)CC)Cl

InChIKey

RZFJBSIAXYEPBX-UHFFFAOYSA-N

InChI

1S/C27H28ClN7O3S/c1-4-35(5-2)39(37,38)25-17-21(10-11-22(25)28)32-26-31-15-13-23(34-26)19-12-14-30-24(16-19)18-6-8-20(9-7-18)33-27(36)29-3/h6-17H,4-5H2,1-3H3,(H2,29,33,36)(H,31,32,34)

关联靶标

Serine/threonine-protein kinase SMG1, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Serine/threonine-protein kinase mTOR

1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[1-butyl-4-[3-(4-methylpentoxy)phenyl]-2-oxo-1,8-naphthyridin-3-yl]urea

技术标识符

IUPAC名称

1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[1-butyl-4-[3-(4-methylpentoxy)phenyl]-2-oxo-1,8-naphthyridin-3-yl]urea

SMILES

CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCC(C)C

InChIKey

PRCCYAKPEIWHCQ-UHFFFAOYSA-N

InChI

1S/C37H49N5O3/c1-8-9-18-42-35-29(16-11-17-39-35)32(26-14-10-15-28(20-26)45-19-12-13-23(2)3)34(36(42)43)41-37(44)40-33-30(24(4)5)21-27(38)22-31(33)25(6)7/h10-11,14-17,20-25H,8-9,12-13,18-19,38H2,1-7H3,显示更多

关联靶标

Acetyl-CoA acetyltransferase, mitochondrial

1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-(1-butyl-2-oxo-4-{3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-1,2-dihydro-1,8-naphthyridin-3-yl)urea dihydrochloride

技术标识符

IUPAC名称

1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-(1-butyl-2-oxo-4-{3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-1,2-dihydro-1,8-naphthyridin-3-yl)urea dihydrochloride

SMILES

CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCN1CCCC1.Cl.Cl

InChIKey

YRTFLDFDKPFNCJ-UHFFFAOYSA-N

InChI

1S/C38H50N6O3.2ClH/c1-6-7-20-44-36-30(15-11-16-40-36)33(27-13-10-14-29(22-27)47-21-12-19-43-17-8-9-18-43)35(37(44)45)42-38(46)41-34-31(25(2)3)23-28(39)24-32(34)26(4)5;;/h10-11,13-16,22-26H,6-9,12,17-2显示更多

关联靶标

Acetyl-CoA acetyltransferase, mitochondrial

1-butyl-4-{3-fluoro-4-[(2-methylpyridin-4-yl)oxy]phenyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile

技术标识符

IUPAC名称

1-butyl-4-{3-fluoro-4-[(2-methylpyridin-4-yl)oxy]phenyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile

SMILES

CCCCn1ccc(c(c1=O)C#N)c1ccc(c(c1)F)Oc1ccnc(c1)C

InChIKey

IPTWXMISVLTMAV-UHFFFAOYSA-N

InChI

1S/C22H20FN3O2/c1-3-4-10-26-11-8-18(19(14-24)22(26)27)16-5-6-21(20(23)13-16)28-17-7-9-25-15(2)12-17/h5-9,11-13H,3-4,10H2,1-2H3

关联靶标

Metabotropic glutamate receptor 2

(S)-6-((1-hydroxy-3-phenylpropan-2-yl)amino)-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)nicotinamide

技术标识符

IUPAC名称

6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C=CC(=N2)NC(CC3=CC=CC=C3)CO)C(=O)NCCOC4=CC=CC=C4

InChIKey

FCBOUJYKAGWYQM-DEOSSOPVSA-N

InChI

1S/C32H35N3O6/c1-38-27-19-23(20-28(39-2)31(27)40-3)30-26(32(37)33-16-17-41-25-12-8-5-9-13-25)14-15-29(35-30)34-24(21-36)18-22-10-6-4-7-11-22/h4-15,19-20,24,36H,16-18,21H2,1-3H3,(H,33,37)(H,34,35)/t24-显示更多

关联靶标

Extracellular calcium-sensing receptor