苯并吡喃类

XNT

技术标识符

IUPAC名称

[8-(2-dimethylaminoethylamino)-5-(hydroxymethyl)-9-oxoxanthen-2-yl] 4-methylbenzenesulfonate

SMILES

OCc1ccc(c2c1oc1ccc(cc1c2=O)OS(=O)(=O)c1ccc(cc1)C)NCCN(C)C

InChIKey

SEVKFSGZVZFIMA-UHFFFAOYSA-N

InChI

1S/C25H26N2O6S/c1-16-4-8-19(9-5-16)34(30,31)33-18-7-11-22-20(14-18)24(29)23-21(26-12-13-27(2)3)10-6-17(15-28)25(23)32-22/h4-11,14,26,28H,12-13,15H2,1-3H3

关联靶标

Angiotensin-converting enzyme 2

XAP044

技术标识符

IUPAC名称

7-hydroxy-3-(4-iodophenoxy)chromen-4-one

SMILES

Ic1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)O

InChIKey

XXZKJJYWINSUMJ-UHFFFAOYSA-N

InChI

1S/C15H9IO4/c16-9-1-4-11(5-2-9)20-14-8-19-13-7-10(17)3-6-12(13)15(14)18/h1-8,17H

关联靶标

Metabotropic glutamate receptor 7

UCB35625

技术标识符

IUPAC名称

1-(cycloheptylmethyl)-4-(2,7-dichloro-9H-xanthene-9-amido)-1-ethylpiperidin-1-ium

SMILES

CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1

InChIKey

ZTXGBIXSMSZDOC-UHFFFAOYSA-O

InChI

1S/C29H36Cl2N2O2/c1-2-33(19-20-7-5-3-4-6-8-20)15-13-23(14-16-33)32-29(34)28-24-17-21(30)9-11-26(24)35-27-12-10-22(31)18-25(27)28/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3/p+1

关联靶标

C-C chemokine receptor type 3, C-C chemokine receptor type 1

T1117

技术标识符

IUPAC名称

5-[4-[4-[3-[[3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl]amino]propyl]phenyl]phenyl]-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

SMILES

Clc1ccc(c(c1)Cl)n1nc(c(c1c1ccc(cc1)c1ccc(cc1)CCCNC(=O)c1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)N(C)C)N(C)C)C)C(=O)NN1CCCCC1

InChIKey

RNAPRXIZPJDYPH-UHFFFAOYSA-N

InChI

1S/C56H53Cl2N7O5/c1-34-51(54(67)61-64-28-7-6-8-29-64)60-65(48-26-20-40(57)31-47(48)58)52(34)38-17-15-37(16-18-38)36-13-11-35(12-14-36)10-9-27-59-53(66)39-19-23-44-43(30-39)55(68)70-56(44)45-24-21-41(6显示更多

关联靶标

G-protein coupled receptor 55

SCH-900229

技术标识符

IUPAC名称

(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-4-(2-methylsulfonylethyl)-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromene

SMILES

Clc1ccc(cc1)S(=O)(=O)[C@@]12CCO[C@H]([C@@H]1COc1c2c(F)ccc1F)CCS(=O)(=O)C

InChIKey

AMXSRXZYBDALJG-XERREHJYSA-N

InChI

1S/C21H21ClF2O6S2/c1-31(25,26)11-8-18-15-12-30-20-17(24)7-6-16(23)19(20)21(15,9-10-29-18)32(27,28)14-4-2-13(22)3-5-14/h2-7,15,18H,8-12H2,1H3/t15-,18-,21-/m0/s1

关联靶标

Presenilin-2, Presenilin-1

RM65

技术标识符

IUPAC名称

2-(9H-xanthen-9-ylsulfanyl)-N-{2-[2-(9H-xanthen-9-ylsulfanyl)propanamido]ethyl}propanamide

SMILES

O=C(C(SC1c2ccccc2Oc2c1cccc2)C)NCCNC(=O)C(SC1c2ccccc2Oc2c1cccc2)C

InChIKey

KBXOGBYQKMAAIA-UHFFFAOYSA-N

InChI

1S/C34H32N2O4S2/c1-21(41-31-23-11-3-7-15-27(23)39-28-16-8-4-12-24(28)31)33(37)35-19-20-36-34(38)22(2)42-32-25-13-5-9-17-29(25)40-30-18-10-6-14-26(30)32/h3-18,21-22,31-32H,19-20H2,1-2H3,(H,35,37)(H,36,显示更多

关联靶标

Protein arginine N-methyltransferase 1

PIK-108

技术标识符

IUPAC名称

8-[(1S)-1-anilinoethyl]-6-methyl-2-morpholin-4-ylchromen-4-one

SMILES

Cc1cc([C@@H](Nc2ccccc2)C)c2c(c1)c(=O)cc(o2)N1CCOCC1

InChIKey

VRCXIJAYLCUSHC-INIZCTEOSA-N

InChI

1S/C22H24N2O3/c1-15-12-18(16(2)23-17-6-4-3-5-7-17)22-19(13-15)20(25)14-21(27-22)24-8-10-26-11-9-24/h3-7,12-14,16,23H,8-11H2,1-2H3/t16-/m0/s1

关联靶标

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform

NIP-142

技术标识符

IUPAC名称

N-[(3R,4S)-4-(cyclopropylamino)-3-hydroxy-2,2-dimethyl-7-nitrochroman-6-yl]-2-(4-methoxyphenyl)acetamide

SMILES

COc1ccc(cc1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC([C@@H]([C@H]2NC1CC1)O)(C)C

InChIKey

HWADWMAQVCHLHJ-FCHUYYIVSA-N

InChI

1S/C23H27N3O6/c1-23(2)22(28)21(24-14-6-7-14)16-11-17(18(26(29)30)12-19(16)32-23)25-20(27)10-13-4-8-15(31-3)9-5-13/h4-5,8-9,11-12,14,21-22,24,28H,6-7,10H2,1-3H3,(H,25,27)/t21-,22+/m0/s1

关联靶标

G protein-activated inward rectifier potassium channel 4

N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide

技术标识符

IUPAC名称

N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide

SMILES

Fc1ccc2c(c1)c(=O)cc(o2)C(=O)NCC1(O)CCC(CC1)(F)F

InChIKey

PJBRCGHQNUWERQ-UHFFFAOYSA-N

InChI

1S/C17H16F3NO4/c18-10-1-2-13-11(7-10)12(22)8-14(25-13)15(23)21-9-16(24)3-5-17(19,20)6-4-16/h1-2,7-8,24H,3-6,9H2,(H,21,23)

MRS1084

技术标识符

IUPAC名称

7-[(E)-2-phenylethenyl]-4-propoxypyrano[3,2-f][1]benzoxol-5-one

SMILES

CCCOc1c2c(=O)cc(oc2cc2c1cco2)/C=C/c1ccccc1

InChIKey

RCPBGBWHKGZPFO-CMDGGOBGSA-N

InChI

1S/C22H18O4/c1-2-11-25-22-17-10-12-24-19(17)14-20-21(22)18(23)13-16(26-20)9-8-15-6-4-3-5-7-15/h3-10,12-14H,2,11H2,1H3/b9-8+

关联靶标

Adenosine receptor A2a, Adenosine receptor A1

MRS1066

技术标识符

IUPAC名称

4-ethoxy-7-[(E)-2-phenylethenyl]pyrano[3,2-f][1]benzoxol-5-one

SMILES

CCOc1c2c(=O)cc(oc2cc2c1cco2)/C=C/c1ccccc1

InChIKey

TZRUAYHMQMKKLT-CMDGGOBGSA-N

InChI

1S/C21H16O4/c1-2-23-21-16-10-11-24-18(16)13-19-20(21)17(22)12-15(25-19)9-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3/b9-8+

关联靶标

Adenosine receptor A2a, Adenosine receptor A1

MRS1065

技术标识符

IUPAC名称

4-methoxy-7-[(E)-2-phenylethenyl]pyrano[3,2-f][1]benzoxol-5-one

SMILES

COc1c2c(=O)cc(oc2cc2c1cco2)/C=C/c1ccccc1

InChIKey

HTBFQFPYNPJVLO-BQYQJAHWSA-N

InChI

1S/C20H14O4/c1-22-20-15-9-10-23-17(15)12-18-19(20)16(21)11-14(24-18)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7+

关联靶标

Adenosine receptor A2a, Adenosine receptor A1