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irritable bowel syndrome (DOID:9778)

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  1. BQ-123, Antagonist of ET A receptor
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    BQ-123, Antagonist of ET A receptor
    CAS: 136553-81-6 Formula: C31H42N6O7 Molecular Weight: 610.7
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥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[...
  2. GW 590735, Peroxisome proliferator-activated receptor alpha agonist
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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...
  3. GW 1929 hydrochloride
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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
  4. GSK1904529A
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    GSK1904529A
    CAS: 1089283-49-7 Formula: C44H47F2N9O5S Molecular Weight: 851.96
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥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 ...
  5. Zolmitriptan, Serotonin 1d (5-HT1d) receptor agonist
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    Zolmitriptan, Serotonin 1d (5-HT1d) receptor agonist
    CAS: 139264-17-8 EC Number: 629-919-0 PubChem CID: 60857 Formula: C16H21N3O2 Molecular Weight: 287.36
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
    In Stock Item #: Z129649
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    IUPAC Name
    (4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
    SMILES
    CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3
    InChIKey
    ULSDMUVEXKOYBU-ZDUSSCGKSA-N
    InChI
    1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
    Synonyms
    NSC-760383 | ZOLMITRIPTAN (EP MONOGRAPH) | Zomigon | AscoTopand | DB00315 | Tox21_111455 | ZOLMITRIPTAN [WHO-DD] | Zo...
  6. Risperidone, Dopamine D2 receptor antagonist
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    Risperidone, Dopamine D2 receptor antagonist
    CAS: 106266-06-2 EC Number: 600-733-1 PubChem CID: 5073 Formula: C23H27FN4O2 Molecular Weight: 410.48
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: R127644
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    IUPAC Name
    3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
    SMILES
    CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
    InChIKey
    RAPZEAPATHNIPO-UHFFFAOYSA-N
    InChI
    1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
    Synonyms
    CHEBI:8871 | Risperdal M-Tab | RISPERIDONE [HSDB] | RISPERIDONE [EP IMPURITY] | Risperidone M-tab | HMS2089C22 | PERS...
  7. AEE788 (NVP-AEE788), Vascular endothelial growth factor receptor 1 inhibitor
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    AEE788 (NVP-AEE788), Vascular endothelial growth factor receptor 1 inhibitor
    CAS: 497839-62-0 Formula: C27H32N6 Molecular Weight: 440.58
    ≥97%
    In Stock Item #: A126830
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    IUPAC Name
    6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    SMILES
    CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4NC(C)C5=CC=CC=C5
    InChIKey
    OONFNUWBHFSNBT-HXUWFJFHSA-N
    InChI
    1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2show more
    Synonyms
    6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[3,2-e]pyrimidin-4-amine | 7,9-Dimethyl-...
  8. GSK 2193874, Channel blocker of TRPV4
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    GSK 2193874, Channel blocker of TRPV4
    CAS: 1336960-13-4 EC Number: 808-437-6 Formula: C37H38BrF3N4O Molecular Weight: 691.62
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: G287297
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    IUPAC Name
    7-bromo-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
    SMILES
    C1CCN(CC1)C2CCN(CC2)CC3=C(C4=C(C=C(C=C4)Br)N=C3C5=CC(=CC=C5)C(F)(F)F)C(=O)NC6(CC6)C7=CC=CC=C7
    InChIKey
    UIVOZBSCHXCGPS-UHFFFAOYSA-N
    InChI
    1S/C37H38BrF3N4O/c38-28-12-13-30-32(23-28)42-34(25-8-7-11-27(22-25)37(39,40)41)31(24-44-20-14-29(15-21-44)45-18-5-2-6-19-45)33(30)35(46)43-36(16-17-36show more
    Synonyms
    GSK2193874 | GSK-2193874 | GTPL6465 | NCGC00370767-01 | 3-([1,4'-Bipiperidin]-1'-ylmethyl)-7-bromo-N-(1-phenylcyclopr...
  9. Lisuride, Agonist of 5-HT 1A receptor;Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor;Agonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor;Agonist of 5-HT 2C receptor;Agonist of 5-HT 6 receptor;Agonist of 5-HT 7 receptor;Antagonist of α 1A-adrenocepto
    Wish List Compare
    Lisuride, Agonist of 5-HT 1A receptor;Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor;Agonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor;Agonist of 5-HT 2C receptor;Agonist of 5-HT 6 receptor;Agonist of 5-HT 7 receptor;Antagonist of α 1A-adrenocepto
    CAS: 18016-80-3 EC Number: 241-925-1 Formula: C20H26N4O Molecular Weight: 338.45
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: L353949
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    IUPAC Name
    3-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
    SMILES
    CCN(CC)C(=O)NC1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C
    InChIKey
    BKRGVLQUQGGVSM-KBXCAEBGSA-N
    InChI
    1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/mshow more
    Synonyms
    1,1-Diethyl-3-((6aR,9S)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)urea
  10. GDC-0068, Serine/threonine-protein kinase AKT inhibitor
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    GDC-0068, Serine/threonine-protein kinase AKT inhibitor
    CAS: 1001264-89-6 Formula: C24H32ClN5O2 Molecular Weight: 458
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: G127588
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    IUPAC Name
    (2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
    SMILES
    CC1CC(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)C(CNC(C)C)C4=CC=C(C=C4)Cl)O
    InChIKey
    GRZXWCHAXNAUHY-NSISKUIASA-N
    InChI
    1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3show more
    Synonyms
    RG7440 | GDC0068 | GDC 0068 | RG-7440 | RG 7440 | DTXSID9041152 | Ipatasertib; GDC-0068 | NCGC00182063-03 | AS-17027 ...
  11. GW441756
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    GW441756
    CAS: 504433-23-2 Formula: C17H13N3O Molecular Weight: 275.3
    ≥98%
    In Stock Item #: G129825
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    IUPAC Name
    (3Z)-3-[(1-methylindol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
    SMILES
    CN1C=C(C2=CC=CC=C21)C=C3C4=C(C=CC=N4)NC3=O
    InChIKey
    NXNQLECPAXXYTR-LCYFTJDESA-N
    InChI
    1S/C17H13N3O/c1-20-10-11(12-5-2-3-7-15(12)20)9-13-16-14(19-17(13)21)6-4-8-18-16/h2-10H,1H3,(H,19,21)/b13-9-
    Synonyms
    GW441756 hydrochloride | 3-(1-Methyl-1H-indol-3-ylmethylene)-1,3-dihydro-pyrrolo[3,2-b]pyridin-2-one | BRD-K04146668-...
  12. Levosulpiride, Serotonin 4 (5-HT4) receptor agonist
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    Levosulpiride, Serotonin 4 (5-HT4) receptor agonist
    CAS: 23672-07-3 EC Number: 682-417-3 Formula: C15H23N3O4S Molecular Weight: 341.43
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: L129452
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    IUPAC Name
    N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide
    SMILES
    CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
    InChIKey
    BGRJTUBHPOOWDU-NSHDSACASA-N
    InChI
    1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1
    Synonyms
    Levopraid (TN) | Levosulpiridum | BCP9000853 | NCGC00024853-01 | LEVOSULPIRIDE [MART.] | NCGC00024853-09 | SMR0004663...
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