芳香族苯胺

berotralstat

技术标识符

IUPAC名称

2-[3-(aminomethyl)phenyl]-N-[5-[(R)-(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

SMILES

C1CC1CNC(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CC=CC(=C5)C#N

InChIKey

UXNXMBYCBRBRFD-MUUNZHRXSA-N

InChI

1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)/t28-/m1/s1

关联靶标

Plasma kallikrein

VU6012962

技术标识符

IUPAC名称

4-(cyclopropylmethoxy)-3-methoxy-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide

SMILES

COc1cc(ccc1OCC1CC1)C(=O)Nc1cc(ccc1n1cncn1)OC(F)(F)F

InChIKey

IQNLJJLZIVCGFI-UHFFFAOYSA-N

InChI

1S/C21H19F3N4O4/c1-30-19-8-14(4-7-18(19)31-10-13-2-3-13)20(29)27-16-9-15(32-21(22,23)24)5-6-17(16)28-12-25-11-26-28/h4-9,11-13H,2-3,10H2,1H3,(H,27,29)

关联靶标

Metabotropic glutamate receptor 7

VU6010608

技术标识符

IUPAC名称

3,4-dimethoxy-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide

SMILES

COc1ccc(cc1OC)C(=O)Nc1cc(ccc1n1ncnc1)OC(F)(F)F

InChIKey

YCDOKDADFOBKIL-UHFFFAOYSA-N

InChI

1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)

关联靶标

Metabotropic glutamate receptor 7

VU0364770

技术标识符

IUPAC名称

N-(3-chlorophenyl)pyridine-2-carboxamide

SMILES

Clc1cccc(c1)NC(=O)c1ccccn1

InChIKey

SUYUTNCKIOLMAJ-UHFFFAOYSA-N

InChI

1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)

关联靶标

Metabotropic glutamate receptor 4

VU0483605

技术标识符

IUPAC名称

3-chloro-N-[3-chloro-4-(4-chloro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide

SMILES

C1=CC2=C(C(=C1)Cl)C(=O)N(C2=O)C3=C(C=C(C=C3)NC(=O)C4=C(C=CC=N4)Cl)Cl

InChIKey

HJQXPBKPTGWZCF-UHFFFAOYSA-N

InChI

1S/C20H10Cl3N3O3/c21-12-4-1-3-11-16(12)20(29)26(19(11)28)15-7-6-10(9-14(15)23)25-18(27)17-13(22)5-2-8-24-17/h1-9H,(H,25,27)

关联靶标

Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 5

VU0400195

技术标识符

SMILES

O=C1C2[C@H]3C=C[C@@H]([C@H]2C(=O)N1c1ccc(cc1Cl)NC(=O)c1ccccn1)C3

InChIKey

LJUABYFUJVRUSJ-KNGMQDLYSA-N

InChI

1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,17-18H,9H2,(H,24,26)/t11-,12+,17-,18?/m1/s1

关联靶标

Metabotropic glutamate receptor 4

SN6

技术标识符

IUPAC名称

1-methyl-4-{[4-({4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolin-1-ium

SMILES

C[n+]1ccc(cc1)Nc1ccc(cc1)NC(=O)c1ccc(cc1)Nc1cc[n+](c2c1cccc2)C

InChIKey

PMCURUPNDHFYCG-UHFFFAOYSA-P

InChI

1S/C29H25N5O/c1-33-18-15-25(16-19-33)30-22-11-13-24(14-12-22)32-29(35)21-7-9-23(10-8-21)31-27-17-20-34(2)28-6-4-3-5-26(27)28/h3-20H,1-2H3,(H,32,35)/p+2

OSI-930

技术标识符

IUPAC名称

3-(quinolin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide

SMILES

O=C(c1sccc1NCc1ccnc2c1cccc2)Nc1ccc(cc1)OC(F)(F)F

InChIKey

FGTCROZDHDSNIO-UHFFFAOYSA-N

InChI

1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)

关联靶标

Macrophage colony-stimulating factor 1 receptor, RAF proto-oncogene serine/threonine-protein kinase, Tyrosine-protein kinase Lck, Vascular endothelial growth factor receptor 1, Vascular endothelial growth factor receptor 2, Mast/stem cell growth factor receptor Kit

NF770

技术标识符

IUPAC名称

5-methoxy-3-[[3-[[3-[[3-[[5-[(8-methoxy-3,6-disulfonaphthalen-2-yl)carbamoyl]-2-methylphenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-4-methylbenzoyl]amino]naphthalene-2,7-disulfonic acid

SMILES

COc1cc(cc2c1cc(NC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1cc3c(OC)cc(cc3cc1S(=O)(=O)O)S(=O)(=O)O)C)c(c2)S(=O)(=O)O)S(=O)(=O)O

InChIKey

OVDXRPYTXUZANY-UHFFFAOYSA-N

InChI

1S/C53H44N6O19S4/c1-27-11-13-31(51(62)58-43-25-39-33(21-47(43)81(71,72)73)17-37(79(65,66)67)23-45(39)77-3)19-41(27)56-49(60)29-7-5-9-35(15-29)54-53(64)55-36-10-6-8-30(16-36)50(61)57-42-20-32(14-12-28(显示更多

关联靶标

P2X purinoceptor 2

NF-56-EJ40

技术标识符

SMILES

CN1CCN(CC1)Cc1ccc(cc1)c1cccc(c1)C(=O)Nc1ccccc1CC(=O)O

InChIKey

UTWXDNZWMQAUKL-UHFFFAOYSA-N

InChI

1S/C27H29N3O3/c1-29-13-15-30(16-14-29)19-20-9-11-21(12-10-20)22-6-4-7-24(17-22)27(33)28-25-8-3-2-5-23(25)18-26(31)32/h2-12,17H,13-16,18-19H2,1H3,(H,28,33)(H,31,32)

关联靶标

Succinate receptor 1

NF449

技术标识符

IUPAC名称

1,3-disodium 4-{[3-({[3,5-bis({2,4-bis[(sodiooxy)sulfonyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)-5-({2,4-bis[(sodiooxy)sulfonyl]phenyl}carbamoyl)benzene]amido}benzene-1,3-disulfonate

SMILES

[Na]OS(=O)(=O)c1cc(ccc1NC(=O)c1cc(NC(=O)Nc2cc(cc(c2)C(=O)Nc2ccc(cc2S(=O)(=O)O[Na])S(=O)(=O)O[Na])C(=O)Nc2ccc(cc2S(=O)(=O)O[Na])S(=O)(=O)O[Na])cc(c1)C(=O)Nc1ccc(cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=显示更多

InChIKey

KCBZSNWCUJBMHF-UHFFFAOYSA-F

InChI

1S/C41H32N6O29S8.8Na/c48-37(44-29-5-1-25(77(53,54)55)15-33(29)81(65,66)67)19-9-20(38(49)45-30-6-2-26(78(56,57)58)16-34(30)82(68,69)70)12-23(11-19)42-41(52)43-24-13-21(39(50)46-31-7-3-27(79(59,60)61)17显示更多

关联靶标

P2X purinoceptor 1

NF157

技术标识符

IUPAC名称

8-[[4-fluoro-3-[[3-[[3-[[2-fluoro-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid

SMILES

O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChIKey

UDVIAMRWOLIUAE-UHFFFAOYSA-N

InChI

1S/C49H34F2N6O23S6/c50-33-9-7-25(47(60)54-35-11-13-39(83(69,70)71)31-19-29(81(63,64)65)21-41(43(31)35)85(75,76)77)17-37(33)56-45(58)23-3-1-5-27(15-23)52-49(62)53-28-6-2-4-24(16-28)46(59)57-38-18-26(8-显示更多

关联靶标

P2Y purinoceptor 11