Approved Ligands

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Lofepramine, Inhibitor of NET;Inhibitor of SERT
- ≥97%
Cas#: 23047-25-8 Compound CID: 3947

Formula: C₂₆H₂₇ClN₂O Molecular Weight: 418.97

IUPAC Name: 1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone

SMILES: CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl

InChIKey: SAPNXPWPAUFAJU-UHFFFAOYSA-N

InChI: InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3

Synonyms: 1-(4-chlorophenyl)-2-{[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]methylamino}ethanone | Gamanil | HMS3413F21...
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Zileuton, Arachidonate 5-lipoxygenase inhibitor
- ≥98%(HPLC)
Cas#: 111406-87-2 Compound CID: 60490

Formula: C₁₁H₁₂N₂O₂S Molecular Weight: 236.29

IUPAC Name: 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea

SMILES: CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O

InChIKey: MWLSOWXNZPKENC-UHFFFAOYSA-N

InChI: InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)

Synonyms: FT-0601582 | MWLSOWXNZPKENC-UHFFFAOYSA-N | N-(1-BENZO(B)THIEN-2-YL-ETHYL)-N-HYDROXYUREA | N-(1-Benzo(b)thien-2-ylethy...
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Reboxetine, Inhibitor of NET
- ≥98%
Cas#: 71620-89-8 Compound CID: 127151

Formula: C₁₉H₂₃NO₃ Molecular Weight: 313.39

IUPAC Name: (2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine

SMILES: CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3

InChIKey: CBQGYUDMJHNJBX-RTBURBONSA-N

InChI: InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m1/s1

Synonyms: Reboxetine|71620-89-8|98769-81-4|Reboxetine [INN]|105017-38-7|(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine|9...
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Maprotiline, Channel blocker of K ir3.2;Channel blocker of K ir3.4;Inhibitor of NET;Channel blocker of TRPM3
Cas#: 10262-69-8 Compound CID: 4011

Formula: C₂₀H₂₃N Molecular Weight: 277.4

IUPAC Name: N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine

SMILES: CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24

InChIKey: QSLMDECMDJKHMQ-UHFFFAOYSA-N

InChI: InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3

Synonyms: Maprotylina | DB00934 | 3-(9,10-ethanoanthracen-9(10H)-yl)-N-methylpropan-1-amine | NCGC00015708-05 | NCGC00015708-11...
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Chlorpromazine, D2-like dopamine receptor antagonist
- ≥95%
Cas#: 50-53-3 Compound CID: 2726

Formula: C₁₇H₁₉ClN₂S Molecular Weight: 318.9

IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine

SMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChIKey: ZPEIMTDSQAKGNT-UHFFFAOYSA-N

InChI: InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3

Synonyms: Ampliactil | chlorpromazine | Clorpromazina | Chlordelazin | HL 5746 | NSC-226514 | Cromedazine | Fraction AB | 2-chl...
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Paroxetine, Serotonin transporter inhibitor
- ≥97%
Cas#: 61869-08-7 Compound CID: 43815

Formula: C₁₉H₂₀FNO₃ Molecular Weight: 329.37

IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine

SMILES: C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4

InChIKey: AHOUBRCZNHFOSL-YOEHRIQHSA-N

InChI: InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1

Synonyms: (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine | AB00514724 | BRL-29060 | DB00715 | (-)-tra...
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Ethinyl Estradiol, Estrogen receptor alpha agonist
- ≥98%
Cas#: 57-63-6 Compound CID: 5991

Formula: C₂₀H₂₄O₂ Molecular Weight: 296.4

IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O

InChIKey: BFPYWIDHMRZLRN-SLHNCBLASA-N

InChI: InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1

Synonyms: Ethinylestradiol (Standard) | Ethynyloestradiol | Estigyn | 17-Ethinylestradiol | CHEBI:4903 | Ethinyl Estradiol [USP...
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Fluoxetine, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor;Antagonist of 5-HT 2C receptor;Antagonist of 5-HT 6 receptor;Channel blocker of CaCC;Gating inhibitor of K ir3.2;Gating inhibitor of K v3.1;Inhibitor of Plasma membrane monoamine transporter;In
- ≥99%
Cas#: 54910-89-3

Formula: C₁₇H₁₈F₃NO Molecular Weight: 309.33

IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F

InChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-N

InChI: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3

Synonyms: (±)-N-Methyl-γ-[4-(trifluoromethyl)phenoxy]benzenepropanamine | N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propy...
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Nomifensine, Inhibitor of DAT;Inhibitor of NET
- ≥97%
Cas#: 24526-64-5 Compound CID: 4528

Formula: C₁₆H₁₈N₂ Molecular Weight: 238.33

IUPAC Name: 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine

SMILES: CN1CC(C2=C(C1)C(=CC=C2)N)C3=CC=CC=C3

InChIKey: XXPANQJNYNUNES-UHFFFAOYSA-N

InChI: InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3

Synonyms: 2-Methyl-4-phenyl-1,2,3,4-tetrahydro-8-isoquinolinamine 2-butenedioate | 8-Isoquinolinamine, 1,2,3,4-tetrahydro-2-met...
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Citalopram, Inhibitor of NET;Inhibitor of SERT
- ≥98%
Cas#: 59729-33-8 Compound CID: 2771

Formula: C₂₀H₂₁FN₂O Molecular Weight: 324.4

IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile

SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F

InChIKey: WSEQXVZVJXJVFP-UHFFFAOYSA-N

InChI: InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3

Synonyms: 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile | Bonitrile | C07572 | Lu 10-1...
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Raloxifene, Agonist of Estrogen receptor-α;Antagonist of Estrogen receptor-α;Antagonist of Estrogen receptor-β;Agonist of GPER
- ≥98%
Cas#: 84449-90-1 Compound CID: 5035

Formula: C₂₈H₂₇NO₄S Molecular Weight: 473.58

IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

InChIKey: GZUITABIAKMVPG-UHFFFAOYSA-N

InChI: InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2

Synonyms: cid_11071264 | CS-0007764 | Keoxifene; LY 139481; | Lopac0_001051 | CAS-84449-90-1 | GTPL2820 | NCGC00015889-04 | NCG...
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4-(2-Aminoethyl)benzene-1,2-diol, Agonist of D 1 receptor;Agonist of D 2 receptor;Agonist of D 3 receptor;Agonist of D 4 receptor;Agonist of D 5 receptor
Cas#: 51-61-6 Compound CID: 681

Formula: C₈H₁₁NO₂ Molecular Weight: 153.18

IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol

SMILES: C1=CC(=C(C=C1CCN)O)O

InChIKey: VYFYYTLLBUKUHU-UHFFFAOYSA-N

InChI: InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2

Synonyms: dopamine | 3-Hydroxytyramine | Oxytyramine
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