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

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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. Cirazoline hydrochloride
    CAS: 40600-13-3 Formula: C13H16N2O•HCl Molecular Weight: 252.74
    ● In Stock — US warehouse, ships to EU* Item #: C287643
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    IUPAC Name
    2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
    SMILES
    C1CC1C2=CC=CC=C2OCC3=NCCN3.Cl
    InChIKey
    XFRXWLWUUDJHPB-UHFFFAOYSA-N
    InChI
    1S/C13H16N2O.ClH/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13;/h1-4,10H,5-9H2,(H,14,15);1H
    Synonyms
    SCHEMBL93916 | 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole;hydrochloride | CCG-221658 | 2-((2-Cycloprop...
  2. Citalopram Hydrobromide, Serotonin transporter inhibitor
    CAS: 59729-32-7 EC Number: 261-890-6 PubChem CID: 77995 Formula: C20H21FN2O·HBr Molecular Weight: 405.3
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C424970
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    IUPAC Name
    1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
    SMILES
    CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br
    InChIKey
    WIHMBLDNRMIGDW-UHFFFAOYSA-N
    InChI
    1S/C20H21FN2O.BrH/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;1H
    Synonyms
    C20H21FN2O.HBr | Citalopram.HBr, 1mg/ml in Methanol | Nitalapram HBr | SR-01000003129-10 | CITALOPRAM HYDROBROMIDE (E...
  3. Citrate
    CAS: 77-92-9 EC Number: 201-069-1 Formula: C6H8O7 Molecular Weight: 192.12
    Solid AR ? Analytical Reagent grade — high-purity chemicals meeting strict assay limits for lab analysis. Use when accuracy matters and trace impurities could skew results. ≥99.5%(T)
    ● In Stock — US warehouse, ships to EU* Item #: C108869
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    IUPAC Name
    2-hydroxypropane-1,2,3-tricarboxylic acid
    SMILES
    C(C(=O)O)C(CC(=O)O)(C(=O)O)O
    InChIKey
    KRKNYBCHXYNGOX-UHFFFAOYSA-N
    InChI
    1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
    Synonyms
    Citric acid monoglyceride | HSDB 911 | 3-Carboxy-3-hydroxypentane-1,5-dioic acid | 2-hydroxy-1,2,3-propanetricarboxyl...
  4. Cisapride, Agonist of 5-HT 4 receptor;Agonist of 5-HT 7 receptor;Channel blocker of K v11.1
    CAS: 81098-60-4 EC Number: 279-689-7 Formula: C23H29ClFN3O4 Molecular Weight: 465.95
    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 #: C426098
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    IUPAC Name
    4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
    SMILES
    COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F
    InChIKey
    DCSUBABJRXZOMT-IRLDBZIGSA-N
    InChI
    1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2show more
    Synonyms
    cisapride|81098-60-4|Cisaprida|Cisapridum|Prepulsid|Kaudalit|Pridesia|(+-)-Cisapride|CHEBI:3720|R 51619|Propulsid|Ace...
  5. Cisapride monohydrate
    CAS: 260779-88-2 EC Number: 623-862-5 PubChem CID: 13677778 Formula: C23H29N3O4ClF • H2O Molecular Weight: 483.96
    ● In Stock — US warehouse, ships to EU* Item #: C346766
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    IUPAC Name
    4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide;hydrate
    SMILES
    COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F.O
    InChIKey
    QBYYXIDJOFZORM-IKGOIYPNSA-N
    InChI
    1S/C23H29ClFN3O4.H2O/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16;/h4-7,12-13,20,22H,3,8-11,14,26Hshow more
    Synonyms
    4-AMINO-5-CHLORO-N-((3R,4S)-1-(3-(4-FLUOROPHENOXY)PROPYL)-3-METHOXYPIPERIDIN-4-YL)-2-METHOXYBENZAMIDE HYDRATE | 4-ami...
  6. Cisapride monohydrate
    CAS: 260779-88-2 EC Number: 623-862-5 PubChem CID: 13677778 Formula: C23H29N3O4ClF • H2O Molecular Weight: 483.96
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C422917
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    Technical Identifiers
    IUPAC Name
    4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide;hydrate
    SMILES
    COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F.O
    InChIKey
    QBYYXIDJOFZORM-IKGOIYPNSA-N
    InChI
    1S/C23H29ClFN3O4.H2O/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16;/h4-7,12-13,20,22H,3,8-11,14,26Hshow more
    Synonyms
    Cisapride monohydrate|260779-88-2|Alimix|Cisapride hydrate|Propulsid|Enteropride|Propulsin|4-AMINO-5-CHLORO-N-((3R,4S...
  7. Cisatracurium Besylate, Muscle-type nicotinic acetylcholine receptor antagonist
    CAS: 96946-42-8 EC Number: 620-579-9 Formula: C53H72N2O12·2C6H5O3S Molecular Weight: 1243.48
    ● In Stock — US warehouse, ships to EU* Item #: C129903
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    IUPAC Name
    benzenesulfonate;5-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1Rshow more
    SMILES
    C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-]show more
    InChIKey
    XXZSQOVSEBAPGS-DONVQRBFSA-L
    InChI
    1S/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-2show more
    Synonyms
    51W89 | 51-W89 | 51-W-89 | ISOQUINOLINIUM, 2,2'-(1,5-PENTANEDIYLBIS(OXY(3-OXO-3,1-PROPANEDIYL)))BIS(1-((3,4-DIMETHOXY...
  8. Cisatracurium Besylate, Muscle-type nicotinic acetylcholine receptor antagonist
    CAS: 96946-42-8 EC Number: 620-579-9 Formula: C53H72N2O12·2C6H5O3S Molecular Weight: 1243.48
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C407940
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    Technical Identifiers
    Synonyms
    (1R,​1'R,​2R,​2'R)​-2,​2'-​[1,​5-​pentanediylbis[oxy(3​-​oxo-​3,​1-​propanediyl)​]​]​bis[1-​[(3,​4-​dimethoxyphenyl)​...
  9. Citalopram-d6
    CAS: 1190003-26-9 Formula: C20H15D6FN2O Molecular Weight: 330.43
    ● In Stock — US warehouse, ships to EU* Item #: C337651
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    IUPAC Name
    1-[3-[bis(trideuteriomethyl)amino]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-WFGJKAKNSA-N
    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/i1D3,2D3
    Synonyms
    1-[3-(Dimethylamino-d6)propyl]-1-(4-fluorophenyl)-1,3-dizohydro-5-isobenzofurancarbonitrile
  10. Citarinostat (ACY-241), Inhibitor of histone deacetylase 1;Inhibitor of histone deacetylase 2;Inhibitor of histone deacetylase 3;Inhibitor of histone deacetylase 6;Inhibitor of histone deacetylase 8
    CAS: 1316215-12-9 Formula: C24H26ClN5O3 Molecular Weight: 467.95
    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 #: C421225
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    IUPAC Name
    2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
    SMILES
    C1=CC=C(C=C1)N(C2=CC=CC=C2Cl)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO
    InChIKey
    VLIUIBXPEDFJRF-UHFFFAOYSA-N
    InChI
    1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,1show more
    Synonyms
    CCG-269430 | Compound (I) [WO2016200919] | EX-A379 | HMS2093L12 | 1316215-12-9 | DB15449 | 2-((2-Chlorophenyl)phenyla...
  11. Clevidipine Butyrate, Voltage-gated L-type calcium channel blocker
    CAS: 167221-71-8 EC Number: 682-702-2 Formula: C21H23Cl2NO6 Molecular Weight: 456.32
    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 #: C407999
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    Technical Identifiers
    Synonyms
    4-​(2,​3-​dichlorophenyl)​-​1,​4-​dihydro-​2,​6-​dimethyl-​3,​5-​pyridinedicarboxylic acid 3-​methyl 5-​[(1-​oxobutoxy)...
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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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