By Disease (DOID)

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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Search within By Disease (DOID)

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Metabolic diseases

553

Find small molecules grouped around metabolic disease areas for metabolism research, pathway studies, and therapeutic discovery. This category helps organize compounds relevant to glucose regulation, lipid biology, and broader metabolic dysfunction workflows.

inherited metabolic disorder (DOID:655) · acquired metabolic disease (DOID:0060158)

Explore Metabolic diseases →

Genetic diseases

6,558

Browse small molecules associated with genetic disease areas for mutation-linked pathway research, mechanism studies, and discovery screening. This category helps organize compounds relevant to inherited disorders, rare disease biology, and target-focused follow-up work.

monogenic disease (DOID:0050177) · chromosomal disease (DOID:0080014) · ciliopathy (DOID:0060340) · maturity-onset diabetes of the young (DOID:0050524) ·

Explore Genetic diseases →

Syndromes

2,231

Explore small molecules organized around syndrome-related disease areas to support phenotype research, pathway studies, and translational screening. This page helps connect compounds to broader disease contexts when multiple mechanisms or targets may be involved.

congenital nervous system abnormality (DOID:2490) · neural tube defect (DOID:0080074) · orofacial cleft (DOID:0050567) · cryptorchidism (DOID:11383) ·

Explore Syndromes →

Infectious diseases

2,003

Explore disease-oriented compounds relevant to infectious disease research, host–pathogen biology, and anti-infective discovery. Use this page to identify small molecules connected to infection models, response pathways, and translational screening programs.

viral infectious disease (DOID:934) · bacterial infectious disease (DOID:104) · parasitic infectious disease (DOID:1398)

Explore Infectious diseases →

Cell proliferation diseases

5,523

Browse disease-oriented small molecules relevant to cell proliferation disorders, oncology studies, and antiproliferative screening. Use this page to assemble compound sets around growth-control biology, disease mechanisms, and follow-up validation workflows.

irritable bowel syndrome (DOID:9778) · polycystic ovary syndrome (DOID:11612) · chronic fatigue syndrome (DOID:8544) · Noonan syndrome (DOID:3490) ·

Explore Cell proliferation diseases →

Organ/Anatomical diseases

8,547

Find disease-focused small molecules related to organ and anatomical disorders for translational studies, model selection, and discovery workflows. Use this page to browse compounds grouped around tissue-specific or system-level disease biology.

nervous system disease (DOID:863) · gastrointestinal system disease (DOID:77) · cardiovascular system disease (DOID:1287) · immune system disease (DOID:2914) ·

Explore Organ/Anatomical diseases →

Popular Products

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5-Cholesten-3β-ol-7-one
CAS: 566-28-9 Formula: C₂₇H₄₄O₂ Molecular Weight: 400.64

Solid Moligand™ ? ≥99%

In Stock Item #: H130174

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IUPAC Name

(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-show more

SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C

InChIKey
YIKKMWSQVKJCOP-ABXCMAEBSA-N

InChI

1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,2show more

Synonyms
Q27133201 | A937398 | HY-113342 | (2,5-dimethyl-thiazol-4-yl)-acetic acid | 7-Keto Cholesterol (~98%) | CHEBI:64294 |...
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BC-DXI-843
CAS: 2421117-98-6 Formula: C₂₈H₂₆N₄O₄S₂ Molecular Weight: 546.66

Moligand™ ? ≥99%

Out of Stock Item #: B987751

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IUPAC Name

(2S)-3-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)OC

InChIKey
VLPGAOXBMXGNGM-VWLOTQADSA-N

InChI

1S/C28H26N4O4S2/c1-18-7-13-22(14-8-18)38(34,35)32-25(15-20-16-29-24-6-4-3-5-23(20)24)27(33)31-28-30-26(17-37-28)19-9-11-21(36-2)12-10-19/h3-14,16-17,2show more
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BQ-123, Antagonist of ET A receptor
CAS: 136553-81-6 Formula: C₃₁H₄₂N₆O₇ Molecular Weight: 610.7

Moligand™ ? ≥98%

In Stock Item #: B275090

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IUPAC Name

2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]show more

SMILES

CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43

InChIKey
VYCMAAOURFJIHD-PJNXIOHISA-N

InChI

1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/show more

Synonyms
2-((3R,6S,9R,12R,17aS)-9-((1H-indol-3-yl)methyl)-6-isobutyl-3-isopropyl-1,4,7,10,13-pentaoxohexadecahydro-1H-pyrrolo[...
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GSK-3 Inhibitor XIII, Inhibitor of aurora kinase A;Inhibitor of glycogen synthase kinase 3 beta;Inhibitor of SRC proto-oncogene; non-receptor tyrosine kinase
CAS: 404828-08-6 Formula: C₁₈H₁₉N₅ Molecular Weight: 305.3

Moligand™ ? ≥98%

Out of Stock Item #: G338805

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Synonyms
(5-Methyl-1H-pyrazol-3-yl)-(2-phenylquinazolin-4-yl)amine
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GW 590735, Peroxisome proliferator-activated receptor alpha agonist
CAS: 622402-22-6 Formula: C₂₃H₂₁F₃N₂O₄S Molecular Weight: 478.48

≥98%

In Stock Item #: G275270

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Technical Identifiers

IUPAC Name

2-methyl-2-[4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid

SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=C(C=C3)OC(C)(C)C(=O)O

InChIKey
ILUPZUOBHCUBKB-UHFFFAOYSA-N

InChI

1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,show more

Synonyms
HMS3650D07 | DB07215 | QKY617BBX5 | EX-A5892 | ILUPZUOBHCUBKB-UHFFFAOYSA-N | 2-methyl-2-{4-[({4-methyl-2-[4-(trifluor...
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GW 583340 dihydrochloride
CAS: 1173023-85-2 PubChem CID: 16219404 Formula: C₂₈H₂₅ClFN₅O₃S₂•2HCl Molecular Weight: 671.03

Moligand™ ? ≥97%(HPLC)

Out of Stock Item #: G286712

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Technical Identifiers

IUPAC Name

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine;dihydrochloride

SMILES

CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl.Cl.Cl

InChIKey
WIMITXDBYLKRKB-UHFFFAOYSA-N

InChI

1S/C28H25ClFN5O3S2.2ClH/c1-40(36,37)10-9-31-14-27-35-25(16-39-27)19-5-7-24-22(12-19)28(33-17-32-24)34-21-6-8-26(23(29)13-21)38-15-18-3-2-4-20(30)11-18show more

Synonyms
N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[[[2-(methylsulfonyl)ethyl]amino]methyl]-4-thiazolyl]-4-quinazoli...
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GSK2126458 (GSK458), Inhibitor of mechanistic target of rapamycin kinase;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit beta;Inhibitor of phosphatidylinositol-4;
CAS: 1086062-66-9 EC Number: 629-873-1 Formula: C₂₅H₁₇F₂N₅O₃S Molecular Weight: 505.5

Moligand™ ? ≥98%

In Stock Item #: G127233

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Technical Identifiers

IUPAC Name

2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide

SMILES

COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F

InChIKey
CGBJSGAELGCMKE-UHFFFAOYSA-N

InChI

1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3

Synonyms
A25172 | CHEBI:95093 | HMS3656D09 | N-[2-Methoxy-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl]benzenesulfonamide | ...
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PF 05190457, Antagonist of ghrelin receptor
CAS: 1334782-79-4 PubChem CID: 58438464 Formula: C₂₉H₃₂N₆OS Molecular Weight: 512.67

Moligand™ ? ≥98%(HPLC)

In Stock Item #: P288410

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Technical Identifiers

IUPAC Name

2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

SMILES

CC1=CC(=NC=N1)C2=CC3=C(C=C2)C(CC3)N4CC5(C4)CCN(CC5)C(=O)CC6=CN7C=C(SC7=N6)C

InChIKey
ZIUDADZJCKGWKR-AREMUKBSSA-N

InChI

1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,1show more

Synonyms
2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diaz...
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GSK-1016790A, Activator of TRPV4
CAS: 942206-85-1 Formula: C₂₈H₃₂Cl₂N₄O₆S₂ Molecular Weight: 655.61

Moligand™ ? ≥98%

In Stock Item #: G275374

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Technical Identifiers

IUPAC Name

N-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxypropanoyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide

SMILES

CC(C)CC(C(=O)N1CCN(CC1)C(=O)C(CO)NS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=CC4=CC=CC=C4S3

InChIKey
IVYQPSHHYIAUFO-VXKWHMMOSA-N

InChI

1S/C28H32Cl2N4O6S2/c1-17(2)13-21(31-26(36)24-14-18-5-3-4-6-23(18)41-24)27(37)33-9-11-34(12-10-33)28(38)22(16-35)32-42(39,40)25-8-7-19(29)15-20(25)30/hshow more

Synonyms
GSK101 | HY-19608 | GSK 1016790A | N-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxypropanoyl]pipera...
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GSK 9027
CAS: 1229096-88-1 Formula: C₂₇H₁₉F₄N₃O₂S Molecular Weight: 525.52

≥98%(HPLC)

In Stock Item #: G288349

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Technical Identifiers

IUPAC Name

N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide

SMILES

C1=CC=C(C=C1)CS(=O)(=O)NC2=CC(=C(C=C2)C3=CC4=C(C=C3)N(N=C4)C5=CC=C(C=C5)F)C(F)(F)F

InChIKey
DXBJGDVBQPEMOB-UHFFFAOYSA-N

InChI

1S/C27H19F4N3O2S/c28-21-7-10-23(11-8-21)34-26-13-6-19(14-20(26)16-32-34)24-12-9-22(15-25(24)27(29,30)31)33-37(35,36)17-18-4-2-1-3-5-18/h1-16,33H,17H2

Synonyms
N-[4-[1-(4-Fluorophenyl)-1H-indazol-5-yl-3-(trifluoromethyl)phenyl]benzenesulfonamide
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GW 1929 hydrochloride
CAS: 1217466-21-1 PubChem CID: 56972174 Formula: C₃₀H₂₉N₃O₄•HCl Molecular Weight: 532.03

≥98%(HPLC)

Out of Stock Item #: G286659

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Technical Identifiers

IUPAC Name

(2S)-2-(2-benzoylanilino)-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;hydrochloride

SMILES

CN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C4=CC=CC=N4.Cl

InChIKey
KXNKIKXTGRMLEY-YCBFMBTMSA-N

InChI

1S/C30H29N3O4.ClH/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23;/h2-18,27,32H,19-show more

Synonyms
N-(2-Benzoylphenyl)-O-[2-(methyl-2-pyridinylamino)ethyl]-L-tyrosine hydrochloride
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GSK1904529A
CAS: 1089283-49-7 Formula: C₄₄H₄₇F₂N₉O₅S Molecular Weight: 851.96

Moligand™ ? ≥98%

In Stock Item #: G127237

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Technical Identifiers

IUPAC Name

N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yshow more

SMILES

CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F

InChIKey
MOSKATHMXWSZTQ-UHFFFAOYSA-N

InChI

1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(show more

Synonyms
MOSKATHMXWSZTQ-UHFFFAOYSA-N | SB18897 | Trifluralin [ANSI:BSI:ISO] | AMY24202 | A24618 | GSK 4529 | IGF-1R inhibitor ...

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Disease-based browsing helps connect compound selection to a translational or model-system question. This category groups small molecules by disease area so users can identify compounds relevant to disease biology, target classes commonly studied in that area, and assay programs focused on particular therapeutic or mechanistic themes. When evaluating compounds on disease-focused pages, it is useful to look at target relevance, mechanism of action, pathway context, model compatibility, and whether the compound is best suited for screening, control use, or follow-up validation. Related disease branches such as metabolic, genetic, infectious, proliferative, and organ-specific diseases help narrow the list to a more practical starting point for discovery research.