苯乙胺

VPC32183

技术标识符

IUPAC名称

(9Z)-octadec-9-enamido]-3-[4-(pyridin-3-ylmethoxy)phenyl]propoxy]phosphonic acid

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](Cc1ccc(cc1)OCc1cccnc1)COP(=O)(O)O

InChIKey

KMTDWYLEJRZIJN-HWNQJZBBSA-N

InChI

1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33(36)35-31(28-41-42(37,38)39)25-29-20-22-32(23-21-29)40-27-30-18-17-24-34-26-30/h9-10,17-18,20-24,26,31H,2-8,11-16,19,25,27-28H2,1H3,(H,35,36显示更多

关联靶标

Lysophosphatidic acid receptor 3, Lysophosphatidic acid receptor 1

VPC12249

技术标识符

IUPAC名称

[(2R)-2-[[(Z)-octadec-9-enoyl]amino]-3-[4-(phenylmethoxy)phenyl]propyl] dihydrogen phosphate

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](Cc1ccc(cc1)OCc1ccccc1)COP(=O)(O)O

InChIKey

NJLPYJKKKSBCSK-MJPIYRIWSA-N

InChI

1S/C34H52NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34(36)35-32(29-41-42(37,38)39)27-30-23-25-33(26-24-30)40-28-31-20-17-16-18-21-31/h9-10,16-18,20-21,23-26,32H,2-8,11-15,19,22,27-29H2,1H3,(H,35,显示更多

关联靶标

Sphingosine 1-phosphate receptor 3, Lysophosphatidic acid receptor 3, Lysophosphatidic acid receptor 1

NK3201

技术标识符

IUPAC名称

N-(3,4-dioxo-1-phenyl-7-pyridin-2-yloxyheptan-2-yl)-2-(5-formamido-6-oxo-2-phenylpyrimidin-1-yl)acetamide

SMILES

O=CNc1cnc(n(c1=O)CC(=O)NC(C(=O)C(=O)CCCOc1ccccn1)Cc1ccccc1)c1ccccc1

InChIKey

QOANBAXBOLUAFA-UHFFFAOYSA-N

InChI

1S/C31H29N5O6/c37-21-34-25-19-33-30(23-12-5-2-6-13-23)36(31(25)41)20-27(39)35-24(18-22-10-3-1-4-11-22)29(40)26(38)14-9-17-42-28-15-7-8-16-32-28/h1-8,10-13,15-16,19,21,24H,9,14,17-18,20H2,(H,34,37)(H,3显示更多

关联靶标

Chymase

L741742

技术标识符

IUPAC名称

4-[5-(4-chlorophenyl)-4-methyl-1,2-oxazol-3-yl]-1-(2-phenylethyl)piperidine

SMILES

Clc1ccc(cc1)c1onc(c1C)C1CCN(CC1)CCc1ccccc1

InChIKey

QDMAKDIDFJTXEL-UHFFFAOYSA-N

InChI

1S/C23H25ClN2O/c1-17-22(25-27-23(17)20-7-9-21(24)10-8-20)19-12-15-26(16-13-19)14-11-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3

关联靶标

D(4) dopamine receptor

BD-1063

技术标识符

SMILES

CN1CCN(CC1)CCc1cc(c(cc1)Cl)Cl

InChIKey

SUIZRDJCBVPASY-UHFFFAOYSA-N

InChI

1S/C13H18Cl2N2/c1-16-6-8-17(9-7-16)5-4-11-2-3-12(14)13(15)10-11/h2-3,10H,4-9H2,1H3

关联靶标

Sigma non-opioid intracellular receptor 1

BD-1047

技术标识符

IUPAC名称

N-[2-(3,4-dichlorophenyl)ethyl]-N,N',N'-trimethylethane-1,2-diamine

SMILES

CN(CCc1ccc(c(c1)Cl)Cl)CCN(C)C

InChIKey

MGVRNMUKTZOQOW-UHFFFAOYSA-N

InChI

1S/C13H20Cl2N2/c1-16(2)8-9-17(3)7-6-11-4-5-12(14)13(15)10-11/h4-5,10H,6-9H2,1-3H3

关联靶标

Sigma non-opioid intracellular receptor 1

(S)-N-oleoyltyrosinol

技术标识符

IUPAC名称

(Z)-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]octadec-9-enamide

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](Cc1ccc(cc1)O)CO

InChIKey

ICDMLAQPOAVWNH-JRUKXMRZSA-N

InChI

1S/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)28-25(23-29)22-24-18-20-26(30)21-19-24/h9-10,18-21,25,29-30H,2-8,11-17,22-23H2,1H3,(H,28,31)/b10-9-/t25-/m0/s1

关联靶标

Glucose-dependent insulinotropic receptor

fenoterol

技术标识符

IUPAC名称

5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol

SMILES

CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O

InChIKey

LSLYOANBFKQKPT-UHFFFAOYSA-N

InChI

1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3

关联靶标

Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, Beta-1 adrenergic receptor

[³H]tyramine

技术标识符

IUPAC名称

4-(2-Aminoethyl)phenol

SMILES

NCCc1ccc(cc1)O

InChIKey

DZGWFCGJZKJUFP-UHFFFAOYSA-N

InChI

1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2

关联靶标

Trace amine-associated receptor 1

NE-100

技术标识符

IUPAC名称

N-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine

SMILES

CCCN(CCc1ccc(c(c1)OCCc1ccccc1)OC)CCC

InChIKey

YBLIQJGXRLZBCZ-UHFFFAOYSA-N

InChI

1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3

关联靶标

3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase, Sigma non-opioid intracellular receptor 1

DOI

技术标识符

IUPAC名称

1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine

SMILES

COc1cc(I)c(cc1CC(N)C)OC

InChIKey

BGMZUEKZENQUJY-UHFFFAOYSA-N

InChI

1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3

关联靶标

5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 1E, 5-hydroxytryptamine receptor 1F, 5-hydroxytryptamine receptor 2C, 5-hydroxytryptamine receptor 2B

3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol

技术标识符

IUPAC名称

3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol

SMILES

Oc1cccc(c1)CCN(CC1CC1)CCc1ccccc1

InChIKey

QURAQIGQNZYJHP-UHFFFAOYSA-N

InChI

1S/C20H25NO/c22-20-8-4-7-18(15-20)12-14-21(16-19-9-10-19)13-11-17-5-2-1-3-6-17/h1-8,15,19,22H,9-14,16H2

关联靶标

D(2) dopamine receptor, D(3) dopamine receptor, Kappa-type opioid receptor, Mu-type opioid receptor