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  1. PF06650833,IRAK4抑制剂
    CAS号 : 1817626-54-2        Compound CID : 118414016
    分子式: C18H20FN3O4        分子量: 361.37
    IUPAC Name: 1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
    SMILES: CCC1C(NC(=O)C1F)COC2=NC=CC3=CC(=C(C=C32)OC)C(=O)N
    InChIKey: JKDGKIBAOAFRPJ-ZBINZKHDSA-N
    InChI: InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1
  2. 氯喹
    CAS号 : 54-05-7        Compound CID : 2719
    分子式: C18H26ClN3        分子量: 319.87
    IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
    SMILES: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
    InChIKey: WHTVZRBIWZFKQO-UHFFFAOYSA-N
    InChI: InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
  3. 来他替尼
    CAS号 : 111358-88-4        Compound CID : 126565
    分子式: C26H21N3O4        分子量: 439.46
    IUPAC Name: (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one
    SMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O
    InChIKey: UIARLYUEJFELEN-LROUJFHJSA-N
    InChI: InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
  4. Takinib,TAK1/MAP3K7激酶抑制剂
    CAS号 : 1111556-37-6        Compound CID : 37750349
    分子式: C18H18N4O2        分子量: 322.37
    IUPAC Name: 3-N-(1-propylbenzimidazol-2-yl)benzene-1,3-dicarboxamide
    SMILES: CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=CC(=C3)C(=O)N
    InChIKey: UOZVVPXKJGOFIG-UHFFFAOYSA-N
    InChI: InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24)
  5. IRAK1 / 4抑制剂I
    CAS号 : 509093-47-4        Compound CID : 11983295
    分子式: C20H21N5O4        分子量: 395.41
    IUPAC Name: N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-3-nitrobenzamide
    SMILES: C1COCCN1CCN2C3=CC=CC=C3N=C2NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]
    InChIKey: QTCFYQHZJIIHBS-UHFFFAOYSA-N
    InChI: InChI=1S/C20H21N5O4/c26-19(15-4-3-5-16(14-15)25(27)28)22-20-21-17-6-1-2-7-18(17)24(20)9-8-23-10-12-29-13-11-23/h1-7,14H,8-13H2,(H,21,22,26)
  6. 氟伏沙明
    CAS号 : 54739-18-3        Compound CID : 5324346
    分子式: C15H21F3N2O2        分子量: 318.33
    IUPAC Name: 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
    SMILES: COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F
    InChIKey: CJOFXWAVKWHTFT-XSFVSMFZSA-N
    InChI: InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
  7. S1RA
    CAS号 : 878141-96-9        Compound CID : 44247568
    分子式: C20H23N3O2        分子量: 337.42
    IUPAC Name: 4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
    SMILES: CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4
    InChIKey: DGPGXHRHNRYVDH-UHFFFAOYSA-N
    InChI: InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3
  8. Emavusertib (CA-4948)
    CAS号 : 1801344-14-8        Compound CID : 118224491
    分子式: C24H25N7O5        分子量: 491.5
    IUPAC Name: N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide
    SMILES: CC1=NC=CC(=C1)C2=NC(=CO2)C(=O)NC3=CC4=C(N=C3N5CCC(C5)O)N=C(O4)N6CCOCC6
    InChIKey: SJHNWSAWWOAWJH-MRXNPFEDSA-N
    InChI: InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1
  9. S1RA
    CAS号 : 878141-96-9        Compound CID : 44247568
    分子式: C20H23N3O2        分子量: 337.42
    IUPAC Name: 4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
    SMILES: CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4
    InChIKey: DGPGXHRHNRYVDH-UHFFFAOYSA-N
    InChI: InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3
  10. Takinib
    CAS号 : 1111556-37-6        Compound CID : 37750349
    分子式: C18H18N4O2        分子量: 322.37
    IUPAC Name: 3-N-(1-propylbenzimidazol-2-yl)benzene-1,3-dicarboxamide
    SMILES: CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=CC(=C3)C(=O)N
    InChIKey: UOZVVPXKJGOFIG-UHFFFAOYSA-N
    InChI: InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24)
  11. 羟基氯喹
    CAS号 : 118-42-3        Compound CID : 3652
    分子式: C18H26ClN3O        分子量: 335.9
    IUPAC Name: 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol
    SMILES: CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO
    InChIKey: XXSMGPRMXLTPCZ-UHFFFAOYSA-N
    InChI: InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
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