苯基嘧啶

CU-CPT8m

技术标识符

IUPAC名称

7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

SMILES

Cc1cccc(c1)c1ccnc2n1ncc2C(=O)N

InChIKey

HNKGGVGQAVODNJ-UHFFFAOYSA-N

InChI

1S/C14H12N4O/c1-9-3-2-4-10(7-9)12-5-6-16-14-11(13(15)19)8-17-18(12)14/h2-8H,1H3,(H2,15,19)

关联靶标

Toll-like receptor 8

CC-90011

技术标识符

SMILES

N#Cc1ccc(cc1F)c1nc(N2CCC(CC2)N)n(c(=O)c1c1ccc(c(c1)F)OC)C

InChIKey

NBAIXBAUHIQQGF-UHFFFAOYSA-N

InChI

1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3

关联靶标

Lysine-specific histone demethylase 1A

BAY 61-3606

技术标识符

SMILES

COc1cc(ccc1OC)c1nc(Nc2ncccc2C(=O)N)n2c(c1)ncc2

InChIKey

JWQOJVOKBAAAAR-UHFFFAOYSA-N

InChI

1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)

关联靶标

Cell division cycle 7-related protein kinase, Inhibitor of nuclear factor kappa-B kinase subunit alpha, Tyrosine-protein kinase SYK, Mitogen-activated protein kinase kinase kinase kinase 2, Serine/threonine-protein kinase Nek4, Dual specificity protein kinase CLK4, Glycogen synthase kinase-3 beta

BHF-177

技术标识符

IUPAC名称

N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

SMILES

Cc1ncc(c(n1)N[C@@H]1C[C@@H]2C[C@H]1CC2)c1ccc(cc1)C(F)(F)F

InChIKey

ADHZHPOKTRHZGT-DXCKQFNASA-N

InChI

1S/C19H20F3N3/c1-11-23-10-16(13-4-6-15(7-5-13)19(20,21)22)18(24-11)25-17-9-12-2-3-14(17)8-12/h4-7,10,12,14,17H,2-3,8-9H2,1H3,(H,23,24,25)/t12-,14+,17+/m0/s1

BETP

技术标识符

IUPAC名称

2-ethylsulfinyl-4-(3-phenylmethoxyphenyl)-6-(trifluoromethyl)pyrimidine

SMILES

CCS(=O)c1nc(cc(n1)C(F)(F)F)c1cccc(c1)OCc1ccccc1

InChIKey

NTDFYGSSDDMNHI-UHFFFAOYSA-N

InChI

1S/C20H17F3N2O2S/c1-2-28(26)19-24-17(12-18(25-19)20(21,22)23)15-9-6-10-16(11-15)27-13-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3

关联靶标

Glucagon-like peptide 1 receptor

BI 665915

技术标识符

IUPAC名称

2-[4-(3-{1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl}-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N,N-dimethylacetamide

SMILES

O=C(N(C)C)Cn1ncc(c1)c1onc(n1)C(c1ccc(cc1)c1cnc(nc1)N)(C1CC1)C

InChIKey

QGPXEIMWTKWHMH-UHFFFAOYSA-N

InChI

1S/C24H26N8O2/c1-24(19-8-9-19,18-6-4-15(5-7-18)16-10-26-23(25)27-11-16)22-29-21(34-30-22)17-12-28-32(13-17)14-20(33)31(2)3/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27)

Abbott 14c

技术标识符

IUPAC名称

1-tert-butyl-3-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]urea

SMILES

O=C(NC(C)(C)C)Nc1ccc(cc1)c1c(N)nc(nc1COCc1ccccc1)N

InChIKey

MLBYOWASRACYDH-UHFFFAOYSA-N

InChI

1S/C23H28N6O2/c1-23(2,3)29-22(30)26-17-11-9-16(10-12-17)19-18(27-21(25)28-20(19)24)14-31-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H2,26,29,30)(H4,24,25,27,28)

关联靶标

Growth hormone secretagogue receptor type 1

AXT914

技术标识符

IUPAC名称

1-[(2-bromoquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one

SMILES

C#CCOc1ccc2c(c1)c(nc(=O)n2Cc1ccc2c(c1)ncc(n2)Br)c1ccc(cc1)C(C)C

InChIKey

ALANRBCCCQEPFZ-UHFFFAOYSA-N

InChI

1S/C29H23BrN4O2/c1-4-13-36-22-10-12-26-23(15-22)28(21-8-6-20(7-9-21)18(2)3)33-29(35)34(26)17-19-5-11-24-25(14-19)31-16-27(30)32-24/h1,5-12,14-16,18H,13,17H2,2-3H3

ATF936

技术标识符

IUPAC名称

1-(phenylmethyl)-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one

SMILES

C#CCOc1ccc2c(c1)c(nc(=O)n2Cc1ccccc1)c1ccc(cc1)C(C)C

InChIKey

WXYYACUWOMKZQC-UHFFFAOYSA-N

InChI

1S/C27H24N2O2/c1-4-16-31-23-14-15-25-24(17-23)26(22-12-10-21(11-13-22)19(2)3)28-27(30)29(25)18-20-8-6-5-7-9-20/h1,5-15,17,19H,16,18H2,2-3H3

关联靶标

Extracellular calcium-sensing receptor

AM7

技术标识符

IUPAC名称

5-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-methyl-2-(phenylmethyl)pyrimidin-4-one

SMILES

COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)c1cnc(n(c1=O)C)Cc1ccccc1

InChIKey

PEGWVOKOYYAQEV-UHFFFAOYSA-N

InChI

1S/C35H35FN4O5/c1-39-34(19-24-7-4-3-5-8-24)38-23-27(35(39)41)25-9-10-31(28(36)20-25)45-30-11-12-37-29-22-33(32(42-2)21-26(29)30)44-16-6-13-40-14-17-43-18-15-40/h3-5,7-12,20-23H,6,13-19H2,1-2H3

关联靶标

Hepatocyte growth factor receptor, Tyrosine-protein kinase Lck, Tyrosine-protein kinase BTK

8-cyclopentyl-2,6-diphenyl-7H-purine

技术标识符

IUPAC名称

8-cyclopentyl-2,6-diphenyl-7H-purine

SMILES

C1CCC(C1)c1[nH]c2c(n1)nc(nc2c1ccccc1)c1ccccc1

InChIKey

NDJOQVVSPLVIDN-UHFFFAOYSA-N

InChI

1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26)

关联靶标

Adenosine receptor A2a, Adenosine receptor A1, Adenosine receptor A3

4-(4-hydroxy-3-methylphenyl)-6-phenyl-1,2-dihydropyrimidin-2-one

技术标识符

IUPAC名称

4-(4-hydroxy-3-methylphenyl)-6-phenyl-1,2-dihydropyrimidin-2-one

SMILES

Oc1ccc(cc1C)c1nc(=O)[nH]c(c1)c1ccccc1

InChIKey

MHPMAOLCNNEBOA-UHFFFAOYSA-N

InChI

1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)

关联靶标

Cell division cycle 7-related protein kinase, Serine/threonine-protein kinase pim-1, Dual specificity protein kinase CLK1, Glycogen synthase kinase-3 beta