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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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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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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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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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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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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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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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GSK690693, Protein kinase C (PKC) inhibitor
CAS: 937174-76-0 EC Number: 804-554-1 Formula: C₂₁H₂₇N₇O₃ Molecular Weight: 425.48

Moligand™ ? ≥98%

In Stock Item #: G127527

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IUPAC Name

4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3S)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol

SMILES

CCN1C2=C(C(=NC=C2OCC3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N

InChIKey
KGPGFQWBCSZGEL-ZDUSSCGKSA-N

InChI

1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,2show more

Synonyms
(R)-4-(2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-3-yl-MeO)-1H-imidazo[4,5-c]pyridin-4-yl)-2-Me-but-3-yn-2...
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GSK872
CAS: 1346546-69-7 Formula: C₁₉H₁₇N₃O₂S₂ Molecular Weight: 383.48

Moligand™ ? ≥98%

In Stock Item #: G276439

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IUPAC Name

N-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine

SMILES

CC(C)S(=O)(=O)C1=CC2=C(C=CN=C2C=C1)NC3=CC4=C(C=C3)SC=N4

InChIKey
ZCDBTQNFAPKACC-UHFFFAOYSA-N

InChI

1S/C19H17N3O2S2/c1-12(2)26(23,24)14-4-5-16-15(10-14)17(7-8-20-16)22-13-3-6-19-18(9-13)21-11-25-19/h3-12H,1-2H3,(H,20,22)

Synonyms
GSK′872 | N-(6-(Isopropylsulfonyl)quinolin-4-yl)benzo[d]thiazol-5-amine
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Luzindole, Antagonist of MT 1 receptor;Antagonist of MT 2 receptor
CAS: 117946-91-5 Formula: C₁₉H₂₀N₂O Molecular Weight: 292.37

Moligand™ ? ≥96%

In Stock Item #: L132758

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IUPAC Name

N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide

SMILES

CC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3

InChIKey
WVVXBPKOIZGVNS-UHFFFAOYSA-N

InChI

1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)

Synonyms
2-Benzyl-N-acetyltryptamine | HMS3411B10 | N-(2-(2-(PHENYLMETHYL)-1H-INDOL-3-YL)ETHYL)ETHANAMIDE | AM20020263 | Q6706...
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Nelfinavir Mesylate
CAS: 159989-65-8 EC Number: 663-870-6 Formula: C₃₃H₄₉N₃O₇S₂ Molecular Weight: 663.89

≥98%

In Stock Item #: N137745

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IUPAC Name

(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolineshow more

SMILES

CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O.CS(=O)(=O)O

InChIKey
NQHXCOAXSHGTIA-SKXNDZRYSA-N

InChI

1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(show more

Synonyms
(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)buty...
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ACHP
CAS: 406208-42-2 Formula: C₂₁H₂₄N₄O₂ Molecular Weight: 364.44

≥97%(HPLC)

In Stock Item #: A288136

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IUPAC Name

2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile

SMILES

C1CC1COC2=CC=CC(=C2C3=NC(=C(C(=C3)C4CCNCC4)C#N)N)O

InChIKey
DYVFBWXIOCLHPP-UHFFFAOYSA-N

InChI

1S/C21H24N4O2/c22-11-16-15(14-6-8-24-9-7-14)10-17(25-21(16)23)20-18(26)2-1-3-19(20)27-12-13-4-5-13/h1-3,10,13-14,24,26H,4-9,12H2,(H2,23,25)

Synonyms
2-amino-6-(2-(cyclopropylmethoxy)-6-hydroxyphenyl)-4-(4-piperidinyl)-3-pyridine-carbonitrile | 2-amino-6-[2-(cyclopro...
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Nimodipine, Gating inhibitor of Ca v1.1;Gating inhibitor of Ca v1.2;Gating inhibitor of Ca v1.3;Gating inhibitor of Ca v1.4;Activator of CFTR;Antagonist of Mineralocorticoid receptor;Allosteric modulator of P2X4
CAS: 66085-59-4 EC Number: 266-127-0 Formula: C₂₁H₂₆N₂O₇ Molecular Weight: 418.44

Solid Moligand™ ? ≥98%

In Stock Item #: N129506

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IUPAC Name

3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC

InChIKey
UIAGMCDKSXEBJQ-UHFFFAOYSA-N

InChI

1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3

Synonyms
Nimodipine ap | SPECTRUM1503600 | 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-d...

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This page supports disease-first browsing for disorders with inherited or defined genetic components, where pathway selection often depends on mutation biology and model-system fit. Researchers commonly compare mechanism class, target relationship to disease genetics, phenotype relevance, assay tractability, and translational context when choosing compounds. Genetic-disease research often begins with a genotype or pathway hypothesis rather than a specific compound class. This category helps connect those hypotheses to a more focused set of tool compounds for exploratory and validation studies.

Genetic diseases

monogenic disease (DOID:0050177)

chromosomal disease (DOID:0080014)

ciliopathy (DOID:0060340)

maturity-onset diabetes of the young (DOID:0050524)

malignant hyperthermia (DOID:8545)

chondrodysplasia punctata (DOID:2581)

multiple pterygium syndrome (DOID:0080110)

fungal infectious disease (DOID:1564)

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