嘧啶和嘧啶衍生物

SR8185

技术标识符

IUPAC名称

N-[3-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide

SMILES

N#Cc1cc(ccc1N1CCCC1)c1ccnc(n1)Nc1cccc(c1)NC(=O)N1CCCC1

InChIKey

MQAQKNLCUSPSAF-UHFFFAOYSA-N

InChI

1S/C26H27N7O/c27-18-20-16-19(8-9-24(20)32-12-1-2-13-32)23-10-11-28-25(31-23)29-21-6-5-7-22(17-21)30-26(34)33-14-3-4-15-33/h5-11,16-17H,1-4,12-15H2,(H,30,34)(H,28,29,31)

关联靶标

Inhibitor of nuclear factor kappa-B kinase subunit epsilon, Serine/threonine-protein kinase TBK1

SR7826

技术标识符

IUPAC名称

1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1-phenylurea

SMILES

OCCN(c1ccccc1)C(=O)Nc1ccc(cc1)c1ncnc2c1c(C)c[nH]2

InChIKey

WQAGVQVBDHOHRD-UHFFFAOYSA-N

InChI

1S/C22H21N5O2/c1-15-13-23-21-19(15)20(24-14-25-21)16-7-9-17(10-8-16)26-22(29)27(11-12-28)18-5-3-2-4-6-18/h2-10,13-14,28H,11-12H2,1H3,(H,26,29)(H,23,24,25)

关联靶标

LIM domain kinase 1

RO330-0802/001

技术标识符

IUPAC名称

N-[2-[(2S,4R)-4-[(3,4-dichlorophenyl)methyl]pyrrolidin-2-yl]ethyl]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanylacetamide

SMILES

COc1cc(ccc1OC)c1cnc(nc1)SCC(=O)NCC[C@H]1NC[C@@H](C1)Cc1ccc(c(c1)Cl)Cl

InChIKey

OPLAETMHSJFRBS-WIYYLYMNSA-N

InChI

1S/C27H30Cl2N4O3S/c1-35-24-6-4-19(12-25(24)36-2)20-14-32-27(33-15-20)37-16-26(34)30-8-7-21-10-18(13-31-21)9-17-3-5-22(28)23(29)11-17/h3-6,11-12,14-15,18,21,31H,7-10,13,16H2,1-2H3,(H,30,34)/t18-,21-/m1显示更多

关联靶标

C-C chemokine receptor type 3

RO4988546

技术标识符

IUPAC名称

5-{2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl}pyridine-3-sulfonic acid

SMILES

FC(c1cc(nc2n1ncc2C#Cc1cncc(c1)S(=O)(=O)O)c1ccc(cc1)C(F)(F)F)(F)F

InChIKey

VAQSOLIIQORHSP-UHFFFAOYSA-N

InChI

1S/C21H10F6N4O3S/c22-20(23,24)15-5-3-13(4-6-15)17-8-18(21(25,26)27)31-19(30-17)14(10-29-31)2-1-12-7-16(11-28-9-12)35(32,33)34/h3-11H,(H,32,33,34)

关联靶标

Metabotropic glutamate receptor 2

PIK-III

技术标识符

IUPAC名称

4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine

SMILES

Nc1ncc(c(n1)CC1CC1)c1ccnc(n1)Nc1ccncc1

InChIKey

XXSDLQLNIVFIJI-UHFFFAOYSA-N

InChI

1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)

关联靶标

Phosphatidylinositol 3-kinase catalytic subunit type 3

PF‐06928215

技术标识符

IUPAC名称

(1R,2S)-2-[(7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

SMILES

OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]n2c1nc(cc2=O)c1ccccc1

InChIKey

WGQGCLHXUPGUSZ-HIFRSBDPSA-N

InChI

1S/C20H20N4O4/c25-17-10-16(12-6-2-1-3-7-12)22-18-14(11-21-24(17)18)19(26)23-15-9-5-4-8-13(15)20(27)28/h1-3,6-7,10-11,13,15,21H,4-5,8-9H2,(H,23,26)(H,27,28)/t13-,15+/m1/s1

关联靶标

Cyclic GMP-AMP synthase

PF-152

技术标识符

IUPAC名称

N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[2-[[(2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-methylpyrimidine-4-carboxamide

SMILES

OC[C@@H]1CO[C@H](CO1)Cn1nnc(n1)c1nc(C)nc(c1)C(=O)NCc1ccc(c(c1)OC)F

InChIKey

SKEAGJWUKCNICJ-LSDHHAIUSA-N

InChI

1S/C21H24FN7O5/c1-12-24-17(20-26-28-29(27-20)8-14-10-34-15(9-30)11-33-14)6-18(25-12)21(31)23-7-13-3-4-16(22)19(5-13)32-2/h3-6,14-15,30H,7-11H2,1-2H3,(H,23,31)/t14-,15+/m0/s1

关联靶标

Collagenase 3

PF-07258669

技术标识符

IUPAC名称

(2R)-2-(5-fluoro-2-methoxypyridin-4-yl)-1-[(2S)-7-methyl-6-(pyrimidin-2-yl)-3,4-dihydro-1H-spiro[1,8-naphthyridine-2,3'-pyrrolidin]-1'-yl]propan-1-one

SMILES

Cc1c(cc2CC[C@@]3(CCN(C3)C(=O)[C@H](C)c3cc(ncc3F)OC)Nc2n1)c1ncccn1

InChIKey

PARGFYLSRQUWHR-BZQUYTCOSA-N

InChI

1S/C25H27FN6O2/c1-15(18-12-21(34-3)29-13-20(18)26)24(33)32-10-7-25(14-32)6-5-17-11-19(16(2)30-22(17)31-25)23-27-8-4-9-28-23/h4,8-9,11-13,15H,5-7,10,14H2,1-3H3,(H,30,31)/t15-,25+/m1/s1

N-[5-[6-(2,6-dichloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide

技术标识符

IUPAC名称

N-[5-[6-(2,6-dichloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide

SMILES

COc1cc(Cl)c(c(c1)Cl)c1cc(nc(n1)c1cnccn1)c1cnc(s1)NC(=O)C

InChIKey

XACSASLXEAYEEO-UHFFFAOYSA-N

InChI

1S/C20H14Cl2N6O2S/c1-10(29)26-20-25-9-17(31-20)14-7-15(18-12(21)5-11(30-2)6-13(18)22)28-19(27-14)16-8-23-3-4-24-16/h3-9H,1-2H3,(H,25,26,29)

关联靶标

Dual specificity testis-specific protein kinase 1, LIM domain kinase 1, LIM domain kinase 2, Dual specificity testis-specific protein kinase 2

MPI-0485520

技术标识符

SMILES

N#Cc1cc(ccc1N1CCCC1)c1ccnc(n1)Nc1ccc2c(c1)CC(=O)N2

InChIKey

DHPSFJYFPJRCTN-UHFFFAOYSA-N

InChI

1S/C23H20N6O/c24-14-17-11-15(3-6-21(17)29-9-1-2-10-29)20-7-8-25-23(28-20)26-18-4-5-19-16(12-18)13-22(30)27-19/h3-8,11-12H,1-2,9-10,13H2,(H,27,30)(H,25,26,28)

关联靶标

Inhibitor of nuclear factor kappa-B kinase subunit epsilon, Serine/threonine-protein kinase TBK1

MDG 548

技术标识符

IUPAC名称

5-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

SMILES

S=C1NC(=O)C(=Cc2ccc(c(c2)Cl)OCc2ccccc2)C(=O)N1

InChIKey

WJNBKDZARWFFKR-UHFFFAOYSA-N

InChI

1S/C18H13ClN2O3S/c19-14-9-12(8-13-16(22)20-18(25)21-17(13)23)6-7-15(14)24-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,20,21,22,23,25)

关联靶标

Peroxisome proliferator-activated receptor gamma

LAS38096

技术标识符

IUPAC名称

4-furan-2-yl-N-pyridin-3-yl-5-pyrimidin-4-ylpyrimidin-2-amine

SMILES

n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1

InChIKey

YRPIMMMBNUUYLG-UHFFFAOYSA-N

InChI

1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)

关联靶标

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