By Target / Pathway / Disease

Explore small molecules, screening libraries, and tool compounds for discovery research. Browse by target, pathway, or ligand family to quickly find inhibitors, agonists, and chemical probes, with searchable structure/CAS data and supporting documents (SDS/COA where available).

136,942 products

Ready-to-screen compound libraries and focused sets for hit discovery. Browse libraries by target class, pathway, scaffold, or application, and review size, format, and compound information to build screening panels.Customize Your Screening Library to choose compounds, format, and volume, and we’ll prepare a ready-to-use set for you.Customize Your Screening Library

Navigate small molecules by ligand family or scaffold to build focused sets and explore structure–activity relationships. This category groups related chemotypes, helping you select analogs, fragments, and tool molecules for discovery research.

ADC-focused building blocks and tools to support antibody–drug conjugate research. Explore payloads, linkers, conjugation reagents, and related small-molecule components (where available) for designing and evaluating ADC constructs.

PROTAC

2,814

PROTAC and targeted protein degradation tools for discovery research. Browse degrader-related ligands, linkers, and building blocks (where available) to assemble or screen PROTAC designs, with clear identifiers for efficient selection.

Explore pathway-focused tool compounds to study and modulate key signaling cascades. Browse small molecules grouped by signaling pathway to support mechanism studies, phenotypic assays, and target validation, with clear identifiers for fast searching.

Find bioactive small molecules organized by protein target (DTO). Quickly locate tool compounds for specific targets and compare identifiers such as structure, CAS, and synonyms—plus supporting documents —to build screening and validation sets.

Shop small molecules and tool compounds organized by disease area (DOID). Discover chemical probes, libraries, and related products mapped to therapeutic areas to help assemble compound sets for screening, pathway exploration, and model studies.

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  1. Amonafide
    CAS: 69408-81-7 Formula: C16H17N3O2 Molecular Weight: 283.33
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A408632
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    Synonyms
    NSC308847,AS1413 | 1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-amino-2-[2-(dimethylamino)ethyl]-
  2. Amorolfine HCl
    CAS: 78613-38-4 EC Number: 689-236-9 Formula: C21H35NO·HCl Molecular Weight: 353.97
    Liquid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A407880
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    (2R,​6S)​-​rel-4-​[3-​[4-​(1,​1-​dimethylpropyl)​phenyl]​-​2-​methylpropyl]​-​2,​6-​dimethyl-morpholine, hydrochlorid...
  3. Amoxicillin Sodium
    CAS: 34642-77-8 EC Number: 252-124-1 Formula: C16H18N3O5S.Na Molecular Weight: 387.39
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A408321
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    Clavulanate | (2S,​5R,​6R)​-6-​[[(2R)​-​2-​amino-​2-​(4-​hydroxyphenyl)​acetyl]​amino]​-​3,​3-​dimethyl-​7-​oxo-​4-​t...
  4. Ampalex, Allosteric modulator of GluA1;Allosteric modulator of GluA2;Allosteric modulator of GluA3;Allosteric modulator of GluA4
    CAS: 154235-83-3 EC Number: 809-154-0 Formula: C14H15N3O Molecular Weight: 241.29
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A421836
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    IUPAC Name
    piperidin-1-yl(quinoxalin-6-yl)methanone
    SMILES
    C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2
    InChIKey
    ANDGGVOPIJEHOF-UHFFFAOYSA-N
    InChI
    1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
    Synonyms
    Ampalex i(1/4)OECX-516 | CHEBI:34605 | SCHEMBL194605 | Ampakine CX516 | BDP-12(Ampalex) | EX-A265 | Q5014875 | 9-Fluo...
  5. Ammonium pyrrolidinedithiocarbamate(APDC)
    CAS: 5108-96-3 EC Number: 225-834-4 Formula: C5H12N2S2 Molecular Weight: 164.29
    Liquid 10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: A424399
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    IUPAC Name
    azanium;pyrrolidine-1-carbodithioate
    SMILES
    C1CCN(C1)C(=S)[S-].[NH4+]
    InChIKey
    MDDIUTVUBYEEEM-UHFFFAOYSA-N
    InChI
    1S/C5H9NS2.H3N/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);1H3
    Synonyms
    5108-96-3|Ammonium pyrrolidinedithiocarbamate|Ammonium pyrrolidine-1-carbodithioate|Pyrrolidinedithiocarbamate ammoni...
  6. Amodiaquine
    CAS: 86-42-0 EC Number: 201-669-3 Formula: C20H22ClN3O Molecular Weight: 355.86
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A426427
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    IUPAC Name
    4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol
    SMILES
    CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O
    InChIKey
    OVCDSSHSILBFBN-UHFFFAOYSA-N
    InChI
    1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)
    Synonyms
    4-[(7-Chloro-4-quinolinyl)amino]-.alpha.-(diethylamino)-o-cresol | Alphaquine | Amodiaquine (USP/INN) | Amodiaquine [...
  7. Amodiaquine hydrochloride
    CAS: 69-44-3 EC Number: 200-706-0 PubChem CID: 6246 Formula: C20H24Cl3N3O Molecular Weight: 428.79
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A425562
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    IUPAC Name
    4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;dihydrochloride
    SMILES
    CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl.Cl
    InChIKey
    ROEBJVHPINPMKL-UHFFFAOYSA-N
    InChI
    1S/C20H22ClN3O.2ClH/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*1H
    Synonyms
    69-44-3|Amodiaquine hydrochloride|Acrichin dihydrochloride|Amodiaquin dihydrochloride|Amodiaquine HCl|Amodiaquine hyd...
  8. Angiotensin II human Acetate, Type-1 angiotensin II receptor agonist
    CAS: 68521-88-0 PubChem CID: 172197 Formula: C50H71N13O12(free base) Molecular Weight: 1046.18(free base)
    ● In Stock — US warehouse, ships to EU* Item #: A412104
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    IUPAC Name
    acetic acid;(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imishow more
    SMILES
    CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N.CC(=O)O
    InChIKey
    VBTZKFAHKJXHBA-PIONDTTLSA-N
    InChI
    1S/C50H71N13O12.C2H4O2/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-show more
    Synonyms
    4-Hydroxy-N-phenylaniline | Angiotensin II acetate [USAN] | ASP-ARG-VAL-TYR-ILE-HIS-PRO-PHE ACETATE SALT | NSC-53476 ...
  9. Anacetrapib (MK-0859), Cholesteryl ester transfer protein inhibitor
    CAS: 875446-37-0 EC Number: 810-468-5 Formula: C30H25F10NO3 Molecular Weight: 637.51
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A407745
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    Synonyms
    2-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[4'-fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)[1...
  10. Anagrelide HCl, Phosphodiesterase 3 inhibitor
    CAS: 58579-51-4 EC Number: 680-360-9 Formula: C10H7Cl2N3O·HCl Molecular Weight: 292.55
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: A129685
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    IUPAC Name
    6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochloride
    SMILES
    C1C2=C(C=CC(=C2Cl)Cl)N=C3N1CC(=O)N3.Cl
    InChIKey
    TVWRQCIPWUCNMI-UHFFFAOYSA-N
    InChI
    1S/C10H7Cl2N3O.ClH/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7;/h1-2H,3-4H2,(H,13,14,16);1H
    Synonyms
    A869408 | TVWRQCIPWUCNMI-UHFFFAOYSA-N | BL 4162A | CCG-265012 | Thromboreductin | IMIDAZO(2,1-.BETA.)QUINAZOLIN-2(3H)...
  11. Anamorelin
    CAS: 249921-19-5 EC Number: 111-195-8 Formula: C31H42N6O3 Molecular Weight: 546.7
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A422861
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    IUPAC Name
    2-amino-N-[(2R)-1-[(3R)-3-benzyl-3-[dimethylamino(methyl)carbamoyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
    SMILES
    CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC(C3)(CC4=CC=CC=C4)C(=O)N(C)N(C)C)N
    InChIKey
    VQPFSIRUEPQQPP-MXBOTTGLSA-N
    InChI
    1S/C31H42N6O3/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22/h6-10,12-15,show more
    Synonyms
    RC-1291 | CCG-269985 | UNII-6MUC9717YK | HY-14734 | RC-1291;ONO-7643 | ST-1291 | UNII-DD5RBA1NKF | Q20707542 | RC-129...
  12. Anastrozole (ZD-1033), Cytochrome P450 19A1 inhibitor
    CAS: 120511-73-1 EC Number: 601-715-6 Formula: C17H19N5 Molecular Weight: 293.37
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A409166
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    Technical Identifiers
    Synonyms
    α1,​α1,​α3,​α3-​tetramethyl-​5-​(1H-​1,​2,​4-​triazol-​1-​ylmethyl)​- 1,​3-​benzenediacetonitril​e
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Frequently Asked Questions

What does the By Target/Pathway/Disease listing cover?
It groups compounds associated with targets in By Target/Pathway/Disease, organised so you can move from the pathway to an individual target and then to a specific chemotype. Each entry carries structure, CAS number, and reported activity.
How is By Target/Pathway/Disease organised?
By Target/Pathway/Disease is broken down into Compound Libraries, PROTACs, molecular glues and other degraders and Antibody-drug Conjugates(ADC). Compounds acting on more than one node appear under each relevant target.
How do I choose compounds for By Target/Pathway/Disease research?
For By Target/Pathway/Disease, pick a well-characterised reference compound for the node you want to perturb, and pair it with a structurally unrelated compound hitting the same target — that is the cleanest way to separate pathway effects from off-target ones. Check potency, selectivity, and cell permeability against your assay format. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
How do I find a specific compound within By Target/Pathway/Disease?
Search By Target/Pathway/Disease by compound name, CAS number, or SMILES, or drill down through the target listing. Unlisted compounds and bulk quantities: [email protected]. We supply verified businesses, research institutions, universities, and government agencies.

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