胺类

(S)-α-methylhistamine

技术标识符

IUPAC名称

(2S)-1-(3H-imidazol-4-yl)propan-2-amine

SMILES

C[C@@H](Cc1cnc[nH]1)N

InChIKey

XNQIOISZPFVUFG-YFKPBYRVSA-N

InChI

1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m0/s1

关联靶标

Histamine H4 receptor, Histamine H3 receptor

(S)-EF-1520

技术标识符

IUPAC名称

(4S)-4-{[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl](methyl)amino}-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol

SMILES

CN([C@H]1CCCc2c1c(O)no2)CCC=C(c1sccc1C)c1sccc1C

InChIKey

CUESOMOCKVRNIW-KRWDZBQOSA-N

InChI

1S/C22H26N2O2S2/c1-14-9-12-27-20(14)16(21-15(2)10-13-28-21)6-5-11-24(3)17-7-4-8-18-19(17)22(25)23-26-18/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3,(H,23,25)/t17-/m0/s1

关联靶标

Sodium- and chloride-dependent betaine transporter, Sodium- and chloride-dependent GABA transporter 1

hexocyclium

技术标识符

IUPAC名称

1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol

SMILES

C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O

InChIKey

ZRYHPQCHHOKSMD-UHFFFAOYSA-N

InChI

1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1

关联靶标

Muscarinic acetylcholine receptor M5, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M1

imbutamine

技术标识符

IUPAC名称

4-(3H-imidazol-4-yl)butan-1-amine

SMILES

NCCCCc1cnc[nH]1

InChIKey

VJSUMPPMFYQOMP-UHFFFAOYSA-N

InChI

1S/C7H13N3/c8-4-2-1-3-7-5-9-6-10-7/h5-6H,1-4,8H2,(H,9,10)

关联靶标

Histamine H4 receptor, Histamine H3 receptor

immepip

技术标识符

IUPAC名称

4-(3H-imidazol-4-ylmethyl)piperidine

SMILES

N1CCC(CC1)Cc1[nH]cnc1

InChIKey

MCNGUYXRBCIGOV-UHFFFAOYSA-N

InChI

1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)

关联靶标

Histamine H4 receptor, Histamine H3 receptor

exo-THPO

技术标识符

IUPAC名称

4-amino-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol

SMILES

NC1CCCc2c1c(O)no2

InChIKey

OAJLTKZYCPGQMS-UHFFFAOYSA-N

InChI

1S/C7H10N2O2/c8-4-2-1-3-5-6(4)7(10)9-11-5/h4H,1-3,8H2,(H,9,10)

betazole

技术标识符

IUPAC名称

2-(1H-pyrazol-3-yl)ethan-1-amine

SMILES

NCCc1cc[nH]n1

InChIKey

JXDFEQONERDKSS-UHFFFAOYSA-N

InChI

1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)

[³H]muscimol

技术标识符

IUPAC名称

5-(aminomethyl)-2,3-dihydro-1,2-oxazol-3-one

SMILES

NCc1cc(=O)[nH]o1

InChIKey

ZJQHPWUVQPJPQT-UHFFFAOYSA-N

InChI

1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)

关联靶标

Gamma-aminobutyric acid receptor subunit rho-1, Gamma-aminobutyric acid receptor subunit alpha-1, Gamma-aminobutyric acid receptor subunit alpha-3, Gamma-aminobutyric acid receptor subunit alpha-4, Gamma-aminobutyric acid receptor subunit alpha-5, Gamma-aminobutyric acid receptor subunit rho-2, Gamma-aminobutyric acid receptor subunit alpha-2, Gamma-aminobutyric acid receptor subunit alpha-6

VUF 4904

技术标识符

IUPAC名称

N-[5-(3H-imidazol-4-yl)pentyl]cyclohexanamine

SMILES

C(CCc1cnc[nH]1)CCNC1CCCCC1

InChIKey

XFSHNAXXKOSENG-UHFFFAOYSA-N

InChI

1S/C14H25N3/c1-3-7-13(8-4-1)16-10-6-2-5-9-14-11-15-12-17-14/h11-13,16H,1-10H2,(H,15,17)

关联靶标

Histamine H4 receptor, Histamine H3 receptor

VUF 5207

技术标识符

IUPAC名称

5-(3H-imidazol-4-yl)-N,N-dimethylpentan-1-amine

SMILES

CN(CCCCCc1[nH]cnc1)C

InChIKey

MVHBNHUOEFGIBK-UHFFFAOYSA-N

InChI

1S/C10H19N3/c1-13(2)7-5-3-4-6-10-8-11-9-12-10/h8-9H,3-7H2,1-2H3,(H,11,12)

关联靶标

Histamine H3 receptor

THPO

技术标识符

IUPAC名称

4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-one

SMILES

C1CNCC2=C1ONC2=O

InChIKey

SXXLKZCNJHJYFL-UHFFFAOYSA-N

InChI

1S/C6H8N2O2/c9-6-4-3-7-2-1-5(4)10-8-6/h7H,1-3H2,(H,8,9)

S-deschloroketamine

技术标识符

IUPAC名称

(2S)-2-(methylamino)-2-phenylcyclohexan-1-one

SMILES

CNC1(CCCCC1=O)c1ccccc1

InChIKey

ZAGBSZSITDFFAF-UHFFFAOYSA-N

InChI

1S/C13H17NO/c1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11/h2-4,7-8,14H,5-6,9-10H2,1H3

关联靶标

Glutamate receptor ionotropic, NMDA 2B