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. Cylindrospermopsin
    CAS: 143545-90-8 EC Number: 802-929-4 Formula: C15H21N5O7S Molecular Weight: 415.42
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    ◐ .Made to order · 8–12 wks Item #: C329512
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    J-007833 | MLS002320509 | SMR001338799 | Q3008693 | (2aS,3R,4S,5aS,7R)-7-[(S)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-...
  2. Cyproterone Acetate, Progesterone receptor agonist
    CAS: 427-51-0 EC Number: 207-048-3 Formula: C24H29ClO4 Molecular Weight: 416.94
    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 #: C408807
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    (1β,​2β)​-17-​(acetyloxy)​-​6-​chloro-​1,​2-​dihydro-​3'H-​cyclopropa[1,​2]​pregna-​1,​4,​6-​triene-​3,​20-​dione
  3. Cyclopeptine
    CAS: 50886-63-0 Formula: C17H16N2O2 Molecular Weight: 280.32
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ◐ .Made to order · 8–12 wks Item #: C329365
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    IUPAC Name
    (3S)-3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
    SMILES
    CN1C(C(=O)NC2=CC=CC=C2C1=O)CC3=CC=CC=C3
    InChIKey
    KSQNKZMAMGACTL-HNNXBMFYSA-N
    InChI
    1S/C17H16N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-10,15H,11H2,1H3,(H,18,20)/t15-/m0/s1
    Synonyms
    (3S)-3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione | (3S)-3-benzyl-4-methyl-3,4-dihydro-1H-1,4-benzodiaz...
  4. Cyclophosphamide monohydrate, DNA inhibitor
    CAS: 6055-19-2 EC Number: 640-398-9 PubChem CID: 22420 Formula: C7H15Cl2N2O2P·H2O Molecular Weight: 279.1
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C425018
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    IUPAC Name
    N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;hydrate
    SMILES
    C1CNP(=O)(OC1)N(CCCl)CCCl.O
    InChIKey
    PWOQRKCAHTVFLB-UHFFFAOYSA-N
    InChI
    1S/C7H15Cl2N2O2P.H2O/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;/h1-7H2,(H,10,12);1H2
    Synonyms
    2-(Bis(2-chloroethyl)amino)-1,3,2-oxazaphosphinane 2-oxide hydrate | CCG-40013 | Cyclophosphamide hydrate | Cyclophos...
  5. Cyproheptadine N-Oxide
    CAS: 100295-63-4 Formula: C21H21NO Molecular Weight: 303.4
    ● In Stock — US warehouse, ships to EU* Item #: C347462
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    IUPAC Name
    1-methyl-1-oxido-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-ium
    SMILES
    C[N+]1(CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1)[O-]
    InChIKey
    AIAORTASLOWFGX-UHFFFAOYSA-N
    InChI
    1S/C21H21NO/c1-22(23)14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
    Synonyms
    4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-piperidine 1-Oxide
  6. Cyclosporin A (NSC 290193), Cyclophilin A modulator
    CAS: 59865-13-3 EC Number: 611-907-1 PubChem CID: 5284373 Formula: C62H111N11O12 Molecular Weight: 1202.61
    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 #: C407869
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    Synonyms
    Cyclosporine A, Cyclosporine, Ciclosporin, CsA | no
  7. Cynarin
    CAS: 30964-13-7 PubChem CID: 5281769 Formula: C25H24O12 Molecular Weight: 516.45
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C423197
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    IUPAC Name
    (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
    SMILES
    O[C@@H]1C[C@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1O)(OC(=O)\C=C\c3ccc(O)c(O)c3)C(O)=O
    InChIKey
    YDDUMTOHNYZQPO-RVXRWRFUSA-N
    InChI
    1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,show more
    Synonyms
    Cynarine [INN:WHO-DD] | 1-O,3-O-Bis(3,4-dihydroxycinnamoyl)chinasaeure | Cyclohexanecarboxylic acid, 1,3-bis(((2E)-3-...
  8. Cynaroside
    CAS: 5373-11-5 EC Number: 226-365-8 Formula: C21H20O11 Molecular Weight: 448.38
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C424595
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    IUPAC Name
    2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    SMILES
    C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
    InChIKey
    PEFNSGRTCBGNAN-QNDFHXLGSA-N
    InChI
    1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,2show more
    Synonyms
    Luteolin 7-.beta.-D-glucoside | LUTEOLIN 7-O-.BETA.-D-GLUCOPYRANOSIDE | 3',4',5-TRIHYDROXYFLAVONE 7-O-beta-D-GLUCOPYR...
  9. Cynaroside
    CAS: 5373-11-5 EC Number: 226-365-8 Formula: C21H20O11 Molecular Weight: 448.38
    Solid Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: C110085
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    IUPAC Name
    2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    SMILES
    C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
    InChIKey
    PEFNSGRTCBGNAN-QNDFHXLGSA-N
    InChI
    1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,2show more
    Synonyms
    Luteolin 7-.beta.-D-glucoside | LUTEOLIN 7-O-.BETA.-D-GLUCOPYRANOSIDE | 3',4',5-TRIHYDROXYFLAVONE 7-O-beta-D-GLUCOPYR...
  10. Cyclosporin A Acetate
    CAS: 83602-41-9 PubChem CID: 6438472 Formula: C64H113N11O13 Molecular Weight: 1244.65
    ● In Stock — US warehouse, ships to EU* Item #: C357209
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    Technical Identifiers
    SMILES
    C/C=C/C[C@@H](C)C(OC(=O)C)C(N(C)C)C(=O)CCCCCCC(=O)[C@@H](NC(=O)[C@@H](NC)CC(C)C)C(C)C
    Synonyms
    B3-243 | Sdz-33-243 | OACsA | O-Acetyl C(9) cyclosporin A | Cyclosporine A acetate | Cyclosporin A, 6-acetate | 6-[(2...
  11. Cyclosporin B
    CAS: 63775-95-1 PubChem CID: 12797522 Formula: C61H109N11O12 Molecular Weight: 1188.59
    ◐ .Made to order · 8–12 wks Item #: C330625
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    Technical Identifiers
    IUPAC Name
    (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28,30-decamethyl-6,9,18,24-tetrakis(2-methylprshow more
    SMILES
    CC=CCC(C)C(C1C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)show more
    InChIKey
    UCOQITKXMNKTKF-MXGZYYNMSA-N
    InChI
    1S/C61H109N11O12/c1-25-26-27-39(14)51(74)50-55(78)64-41(16)56(79)66(18)32-47(73)67(19)43(28-33(2)3)54(77)65-48(37(10)11)60(83)68(20)44(29-34(4)5)53(76show more
    Synonyms
    EX-A2528 | SR-01000872583-1 | (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6...
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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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