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Search results for: '8391'

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  1. 5-Bromo-2-fluoro-3-methylpyridine
    Cas Number:  29312-98-9
    Formula:  C6H5BrFN
    Molecular weight:  190.01
    Synonyms:  PS-8391 | BBL100742 | BCP22184 | SY003968 | AB13475 | DTXSID10476611 | STL554536 | 3-Bromo-6-fluoro-...
    SMILES:  CC1=CC(=CN=C1F)Br
    InChIKey:  JLCVSFDCHKCISN-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H5BrFN/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3
  2. , Agonist of β 1-adrenoceptor
    prenalterol, Agonist of β 1-adrenoceptor
    Cas Number:  57526-81-5       EC Number: 260-791-5
    Formula:  C12H19NO3
    Molecular weight:  225.286
    Synonyms:  CS-0043280 | Phenol, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (S)- | C07533 | (S)-1-(4-hydrox...
    SMILES:  CC(C)NCC(COC1=CC=C(C=C1)O)O
    InChIKey:  ADUKCCWBEDSMEB-NSHDSACASA-N
    InChI:  InChI=1S/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3/t11-/m0/s1
  3. , Histamine H2 receptor antagonist
    Cimetidine, Histamine H2 receptor antagonist
    9 Citations
    Cas Number:  51481-61-9(DMSO)
    Formula:  C10H16N6S
    Molecular weight:  252.34
    Synonyms:  SKF-92334 | 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine
    SMILES:  CNC(NCCSCC1=C(C)[NH]C=N1)=NC#N
  4. , MATE2;Multidrug and toxin extrusion
    N,N-Dimethylimidodicarbonimidic diamide, MATE2;Multidrug and toxin extrusion
    42 Citations
    Cas Number:  657-24-9       EC Number: 211-517-8
    Formula:  C4H11N5
    Molecular weight:  129.16
    Synonyms:  metformin|657-24-9|1,1-Dimethylbiguanide|N,N-dimethylimidodicarbonimidic diamide|Fluamine|Metiguanid...
    SMILES:  CN(C)C(=N)N=C(N)N
    InChIKey:  XZWYZXLIPXDOLR-UHFFFAOYSA-N
    InChI:  InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
  5. , Inhibitor of tryptase alpha/beta 1
    gabexate, Inhibitor of tryptase alpha/beta 1
    Cas Number:  39492-01-8
    Formula:  C17H27N3O7S
    Molecular weight:  417.48
    Synonyms:  BRD-K59256312-066-03-3 | DTXSID9048566 | Prestwick0_001008 | Gabexate (INN) | Prestwick1_001008 | SC...
    SMILES:  CCOC(=O)C1=CC=C(C=C1)OC(=O)CCCCCN=C(N)N
    InChIKey:  YKGYIDJEEQRWQH-UHFFFAOYSA-N
    InChI:  InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)
  6. Pyrimethamine
    6 Citations
    Cas Number:  58-14-0       EC Number: 200-364-2
    Formula:  C12H13ClN4
    Molecular weight:  248.71
    Synonyms:  NCI-C01683 | Z3614QOX8W | CRL-8142 & Pyrimethamine | SMR000058714 | CPD000058714 | DTXCID601217 | Py...
    SMILES:  CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl
    InChIKey:  WKSAUQYGYAYLPV-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
  7. Pentamidine
    Cas Number:  100-33-4
    Formula:  C19H24N4O2
    Molecular weight:  340.43
    Synonyms:  4,4'-Diamidinodiphenoxypentane | 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide
    SMILES:  C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N
    InChIKey:  XDRYMKDFEDOLFX-UHFFFAOYSA-N
    InChI:  InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
  8. Pyrimethamine
    5 Citations
    Cas Number:  58-14-0(DMSO)
    Formula:  C12H13ClN4
    Molecular weight:  248.71
    Synonyms:  5-​(4-​chlorophenyl)​-​6-​ethyl-2,​4-​pyrimidinediamine
    SMILES:  CCC1=NC(=NC(=C1C2=CC=C(Cl)C=C2)N)N
  9. , Histamine H2 receptor antagonist
    Cimetidine, Histamine H2 receptor antagonist
    9 Citations
    Cas Number:  51481-61-9       EC Number: 257-232-2
    Formula:  C10H16N6S
    Molecular weight:  252.34
    Synonyms:  1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine | Aciloc | CIMETIDINE A |...
    SMILES:  CC1=C(N=CN1)CSCCNC(=NC)NC#N
    InChIKey:  AQIXAKUUQRKLND-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
  10. , Inhibitor of DNA topoisomerase II alpha
    Mitoxantrone, Inhibitor of DNA topoisomerase II alpha
    8 Citations
    Cas Number:  65271-80-9
    Formula:  C22H28N4O6
    Molecular weight:  444.48
    Synonyms:  L01DB07 | 5,8-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)-1,4-dihydroxyanthraquinone | HMS2090D05 | 1...
    SMILES:  C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO
    InChIKey:  KKZJGLLVHKMTCM-UHFFFAOYSA-N
    InChI:  InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2
  11. , Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of discoidin domain receptor tyrosine kinase 1;Inhibitor of discoidin domain receptor tyrosine kinase 2
    Imatinib (STI571), Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of discoidin domain receptor tyrosine kinase 1;Inhibitor of discoidin domain receptor tyrosine kinase 2
    15 Citations
    Cas Number:  152459-95-5
    Formula:  C29H31N7O
    Molecular weight:  493.6
    Synonyms:  4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzami...
    SMILES:  CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
    InChIKey:  KTUFNOKKBVMGRW-UHFFFAOYSA-N
    InChI:  InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
  12. , Serotonin 3a (5-HT3a) receptor antagonist
    Ondansetron, Serotonin 3a (5-HT3a) receptor antagonist
    24 Citations
    Cas Number:  99614-02-5
    Formula:  C18H19N3O
    Molecular weight:  293.36
    Synonyms:  BRN 3622981 | HSDB 8304 | GR38032 | GR-38032 | GR-C507/75 | Zofran | AKOS016340526 | Odansetron (com...
    SMILES:  CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C
    InChIKey:  FELGMEQIXOGIFQ-UHFFFAOYSA-N
    InChI:  InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
  13. , Cytochrome P450 3A inhibitor
    Ritonavir (ABT-538), Cytochrome P450 3A inhibitor
    Cas Number:  155213-67-5(DMSO)
    Formula:  C37H48N6O5S2
    Molecular weight:  720.94
    Synonyms:  A 84538, RTV, Norvir, Norvir Softgel | (3S,​4S,​6S,​9S)​-4-​hydroxy-​12-​methyl-​9-�...
    SMILES:  CC(C)C(NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)NC(CC(O)C(CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)CC4=CC=CC=C4
  14. , Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of discoidin domain receptor tyrosine kinase 1;Inhibitor of discoidin domain receptor tyrosine kinase 2
    Imatinib (STI571), Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of discoidin domain receptor tyrosine kinase 1;Inhibitor of discoidin domain receptor tyrosine kinase 2
    Cas Number:  152459-95-5(DMSO)
    Formula:  C29H31N7O
    Molecular weight:  493.6
    Synonyms:  Gleevec, Glivec, CGP057148B | 4-​[(4-​methyl-​1-​piperazinyl)​methyl]​-​N-​[4-​met...
    SMILES:  CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=C(C)C(=C3)NC4=NC=CC(=N4)C5=CC=CN=C5
  15. , Cytochrome P450 3A inhibitor
    Ritonavir, Cytochrome P450 3A inhibitor
    3 Citations
    Cas Number:  155213-67-5
    Formula:  C37H48N6O5S2
    Molecular weight:  720.94
    Synonyms:  2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-...
    SMILES:  CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
    InChIKey:  NCDNCNXCDXHOMX-XGKFQTDJSA-N
    InChI:  InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,See more
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