苯基吡啶

CDK12 inhibitor 2

技术标识符

IUPAC名称

3-Benzyl-1-(trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-(4-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)urea

SMILES

N#Cc1ccc(nc1)N[C@@H]1CC[C@H](CC1)N(c1ccc(cc1)c1ccc(=O)n(c1)C)C(=O)NCc1ccccc1

InChIKey

HDJBGURZVALLMD-KWQFAZJVSA-N

InChI

1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,3显示更多

关联靶标

Cyclin-dependent kinase 13, Cyclin-dependent kinase 7, Cyclin-dependent kinase 9, Cyclin-dependent kinase 8, Cyclin-dependent kinase 12

CDK inhibitor 4.35

技术标识符

IUPAC名称

5-[(2-aminoethyl)sulfanyl]-3-(propan-2-yl)-N-{[4-(pyridin-2-yl)phenyl]methyl}-1H-pyrazolo[4,3-d]pyrimidin-7-amine

SMILES

NCCSc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)c(n[nH]2)C(C)C

InChIKey

PCQPAKMJSYGXRE-UHFFFAOYSA-N

InChI

1S/C22H25N7S/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)30-12-10-23)25-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,28,29)(H,25,26,27)

关联靶标

Cyclin-dependent kinase 1, Cyclin-dependent kinase 9, Cyclin-dependent kinase 4, Cyclin-dependent kinase 2, Cyclin-dependent-like kinase 5, Casein kinase I isoform delta, Serine/threonine-protein kinase Chk2

BI-7273

技术标识符

IUPAC名称

4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one

SMILES

COc1cc(cc(c1CN(C)C)OC)c1cn(C)c(=O)c2c1ccnc2

InChIKey

RBUYFHLQNPJMQM-UHFFFAOYSA-N

InChI

1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3

关联靶标

Cat eye syndrome critical region protein 2, Bromodomain-containing protein 9, Bromodomain-containing protein 7

7-(3,5-dimethoxyphenyl)-2-methyl-1,6-naphthyridine

技术标识符

IUPAC名称

7-(3,5-dimethoxyphenyl)-2-methyl-1,6-naphthyridine

SMILES

COc1cc(OC)cc(c1)c1ncc2c(c1)nc(cc2)C

InChIKey

AWGMVVADCJSVIO-UHFFFAOYSA-N

InChI

1S/C17H16N2O2/c1-11-4-5-12-10-18-16(9-17(12)19-11)13-6-14(20-2)8-15(7-13)21-3/h4-10H,1-3H3

关联靶标

Metabotropic glutamate receptor 5

2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(4-hydroxy-phenyl)-pyridine-3,5-dicarbonitrile

技术标识符

IUPAC名称

2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(4-hydroxy-phenyl)-pyridine-3,5-dicarbonitrile

SMILES

OCCSc1nc(N)c(c(c1C#N)c1ccc(cc1)O)C#N

InChIKey

GYIHPWFWFRELQC-UHFFFAOYSA-N

InChI

1S/C15H12N4O2S/c16-7-11-13(9-1-3-10(21)4-2-9)12(8-17)15(19-14(11)18)22-6-5-20/h1-4,20-21H,5-6H2,(H2,18,19)

关联靶标

Adenosine receptor A1

2-(3-(3-Chloro-5-propoxyphenyl)-2-oxo-2H [1,3'-bipyridin]-5-yl)benzonitrile

技术标识符

IUPAC名称

2-(3-(3-Chloro-5-propoxyphenyl)-2-oxo-2H [1,3'-bipyridin]-5-yl)benzonitrile

SMILES

CCCOc1cc(Cl)cc(c1)c1cc(cn(c1=O)c1cccnc1)c1ccccc1C#N

InChIKey

KFGXONJZGIXSGH-UHFFFAOYSA-N

InChI

1S/C26H20ClN3O2/c1-2-10-32-23-12-19(11-21(27)14-23)25-13-20(24-8-4-3-6-18(24)15-28)17-30(26(25)31)22-7-5-9-29-16-22/h3-9,11-14,16-17H,2,10H2,1H3

2-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,2-a]pyridine

技术标识符

IUPAC名称

2-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,2-a]pyridine

SMILES

COc1cc(ccc1c1ccccn1)c1nc2n(c1)cccc2

InChIKey

DNCGFJANVDVZIZ-UHFFFAOYSA-N

InChI

1S/C19H15N3O/c1-23-18-12-14(8-9-15(18)16-6-2-4-10-20-16)17-13-22-11-5-3-7-19(22)21-17/h2-13H,1H3

关联靶标

Metabotropic glutamate receptor 5

2-(3-chlorophenyl)-4-methyl-5-[(2R)-1-[(1,3-thiazol-2-yl)carbonyl]pyrrolidin-2-yl]pyridine

技术标识符

IUPAC名称

2-(3-chlorophenyl)-4-methyl-5-[(2R)-1-[(1,3-thiazol-2-yl)carbonyl]pyrrolidin-2-yl]pyridine

SMILES

Clc1cccc(c1)c1ncc(c(c1)C)[C@H]1CCCN1C(=O)c1nccs1

InChIKey

GCSDBTCZHROCLZ-GOSISDBHSA-N

InChI

1S/C20H18ClN3OS/c1-13-10-17(14-4-2-5-15(21)11-14)23-12-16(13)18-6-3-8-24(18)20(25)19-22-7-9-26-19/h2,4-5,7,9-12,18H,3,6,8H2,1H3/t18-/m1/s1

关联靶标

Metabotropic glutamate receptor 5

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

技术标识符

IUPAC名称

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

SMILES

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

InChIKey

OXTVBHDILDPYAS-UHFFFAOYSA-N

InChI

1S/C35H45N5O4.ClH/c1-6-7-15-40-33-27(13-9-14-37-33)30(25-11-8-12-26(20-25)44-17-10-16-41)32(34(40)42)39-35(43)38-31-28(22(2)3)18-24(21-36)19-29(31)23(4)5;/h8-9,11-14,18-20,22-23,41H,6-7,10,15-17,21,36显示更多

关联靶标

Acetyl-CoA acetyltransferase, mitochondrial

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

SMILES

CCCCn1c(=O)c(NC(=O)NC2=C(C=CNC2C(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl

InChIKey

UXCQVIIRKWYPHK-UHFFFAOYSA-N

InChI

1S/C31H39N5O3.ClH/c1-7-8-17-36-29-24(13-10-15-33-29)25(21-11-9-12-22(18-21)39-6)28(30(36)37)35-31(38)34-27-23(19(2)3)14-16-32-26(27)20(4)5;/h9-16,18-20,26,32H,7-8,17H2,1-6H3,(H2,34,35,38);1H

关联靶标

Acetyl-CoA acetyltransferase, mitochondrial

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

技术标识符

IUPAC名称

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

SMILES

OCCOc1cccc(c1)c1c(NC(=O)Nc2c(ccc(c2C(C)C)N)C(C)C)c(=O)n(c2c1cccn2)CCCC.Cl

InChIKey

MXPCZHSTOIKVST-UHFFFAOYSA-N

InChI

1S/C33H41N5O4.ClH/c1-6-7-16-38-31-25(12-9-15-35-31)28(22-10-8-11-23(19-22)42-18-17-39)30(32(38)40)37-33(41)36-29-24(20(2)3)13-14-26(34)27(29)21(4)5;/h8-15,19-21,39H,6-7,16-18,34H2,1-5H3,(H2,36,37,41);显示更多

关联靶标

Acetyl-CoA acetyltransferase, mitochondrial

1-[3-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-[3-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(ccc(c2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl

InChIKey

HALGUFCFUQNPBN-UHFFFAOYSA-N

InChI

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

关联靶标

Acetyl-CoA acetyltransferase, mitochondrial