Kinases

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  1. 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        Compound CID:  25167777
    Formula:  C25H17F2N5O3S        Molecular Weight: 505.5
    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: 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 | ...
  2. ZSTK474, PI3-kinase class I inhibitor
    Cas#: 475110-96-4        Compound CID:  11647372
    Formula:  C19H21F2N7O2        Molecular Weight: 417.42
    IUPAC Name: 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
    SMILES: C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5
    InChIKey: HGVNLRPZOWWDKD-UHFFFAOYSA-N
    InChI: InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
    Synonyms: BRD-K63068307-001-01-4 | TCMDC-137004 | 4,4''-(6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diy...
  3. STK16-IN-1, Inhibitor of mechanistic target of rapamycin kinase;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit gamma;Inhibitor of serine/threonine kinas
    Cas#: 1223001-53-3        Compound CID:  58525066
    Formula:  C17H12FN3O        Molecular Weight: 293.3
    IUPAC Name: 1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one
    SMILES: CC1=C(C=CC(=C1)N2C(=O)C=CC3=CN=C4C(=C32)C=CN4)F
    InChIKey: WQNRDXHKVSKUPI-UHFFFAOYSA-N
    InChI: InChI=1S/C17H12FN3O/c1-10-8-12(3-4-14(10)18)21-15(22)5-2-11-9-20-17-13(16(11)21)6-7-19-17/h2-9H,1H3,(H,19,20)
    Synonyms: SCHEMBL1368254 | 1-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-h][1,6]naphthyridin-2(7H)-one | YYB00153 | 1-(4-Fluoro-3-...
  4. PI-3065, Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit beta;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta
    Cas#: 955977-50-1        Compound CID:  24937012
    Formula:  C27H31FN6OS        Molecular Weight: 506.64
    IUPAC Name: 4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
    SMILES: C1CC1CN2CCN(CC2)CC3=CC4=C(S3)C(=NC(=N4)C5=C(C=CC6=C5C=CN6)F)N7CCOCC7
    InChIKey: YDNOHCOYQVZOMC-UHFFFAOYSA-N
    InChI: InChI=1S/C27H31FN6OS/c28-21-3-4-22-20(5-6-29-22)24(21)26-30-23-15-19(17-33-9-7-32(8-10-33)16-18-1-2-18)36-25(23)27(31-26)34-11-13-35-14-12-34/h3-6,15,18,29H,1-2,7-14,16-17H2
  5. PI-103, 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#: 371935-74-9        Compound CID:  9884685
    Formula:  C19H16N4O3        Molecular Weight: 348.36
    IUPAC Name: 3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenol
    SMILES: C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O
    InChIKey: TUVCWJQQGGETHL-UHFFFAOYSA-N
    InChI: InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
    Synonyms: GTPL5701 | PI 103 hydrobromide | 3-(4-(4-morpholinyl)pyrido[3?,2?:4,5]furo[3,2-d]pyrimidin-2- yl)phenol | 3-(4-morpho...
  6. INK 128 (MLN0128), Serine/threonine-protein kinase mTOR inhibitor
    Cas#: 1224844-38-5        Compound CID:  45375953
    Formula:  C15H15N7O        Molecular Weight: 309.33
    IUPAC Name: 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
    SMILES: CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=C3)OC(=N4)N)N
    InChIKey: GYLDXIAOMVERTK-UHFFFAOYSA-N
    InChI: InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)
    Synonyms: 2-Benzoxazolamine, 5-(4-amino-1-(1-methylethyl)-1H-pyrazolo(3,4-d)pyrimidin-3-yl)- | 3-(2-aminobenzo[d]oxazol-5-yl)-1...
  7. Wortmannin, 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#: 19545-26-7        Compound CID:  312145
    Formula:  C23H24O8        Molecular Weight: 428.43
    IUPAC Name: [(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate
    SMILES: CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C5=COC(=C54)C3=O)COC)C)C
    InChIKey: QDLHCMPXEPAAMD-QAIWCSMKSA-N
    InChI: InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
    Synonyms: BRN 0067676 | SCHEMBL4531 | ST-415 | (1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-3,6,6b,7,8,...
  8. XL147, 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;5-bisphosphate 3-kinase catalytic subunit delta;Inhi
    Cas#: 956958-53-5        Compound CID:  1893730
    Formula:  C21H16N6O2S2        Molecular Weight: 448.52
    IUPAC Name: N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
    SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=NSN=C5C=C4
    InChIKey: MQMKRQLTIWPEDM-UHFFFAOYSA-N
    InChI: InChI=1S/C21H16N6O2S2/c1-13-6-9-15(10-7-13)31(28,29)27-21-20(23-16-4-2-3-5-17(16)24-21)22-14-8-11-18-19(12-14)26-30-25-18/h2-12H,1H3,(H,22,23)(H,24,27)
    Synonyms: XL 147 | AKOS022131419 | MFCD16621245 | BCP01861 | N-[3-(2,1,3-Benzothiadiazol-5-ylamino)-2-quinoxalinyl]-4-methylben...
  9. PP121, Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of epidermal growth factor receptor;Inhibitor of HCK proto-oncogene; Src family tyrosine kinase;Inhibitor of kinase insert domain receptor;Inhibitor of mechanistic target of rapamyc
    Cas#: 1092788-83-4        Compound CID:  24905142
    Formula:  C17H17N7        Molecular Weight: 319.36
    IUPAC Name: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
    SMILES: C1CCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CN=C5C(=C4)C=CN5)N
    InChIKey: NVRXTLZYXZNATH-UHFFFAOYSA-N
    InChI: InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)
    Synonyms: SW218262-2 | PP121 | PP-121 | 1092788-83-4 | BCP02256 | J-504558 | SB16563 | MLS001032035 | NCGC00346619-01 | AC-2846...
  10. AS-605240, 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;5-bisphosphate 3-kinase catalytic subunit delta;Inhi
    Cas#: 648450-29-7        Compound CID:  5289247
    Formula:  C12H7N3O2S        Molecular Weight: 257.27
    IUPAC Name: (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
    SMILES: C1=CC2=NC=CN=C2C=C1C=C3C(=O)NC(=O)S3
    InChIKey: SQWZFLMPDUSYGV-POHAHGRESA-N
    InChI: InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-
    Synonyms: 5-(6-Quinoxalinylmethylene)-2,4-thiazolidine-2,4-dione | (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dio...
  11. AZD6482, PI3-kinase class I inhibitor
    Cas#: 1173900-33-8        Compound CID:  44137675
    Formula:  C22H24N4O4        Molecular Weight: 408.45
    IUPAC Name: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid
    SMILES: CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3C(=O)O)N4CCOCC4
    InChIKey: IRTDIKMSKMREGO-OAHLLOKOSA-N
    InChI: InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1
    Synonyms: 2-[[(1R)-1-[7-Methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]benzoic acid | HY-10344 | 2-(...
  12. IC-87114, Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta
    Cas#: 371242-69-2        Compound CID:  9908783
    Formula:  C22H19N7O        Molecular Weight: 397.43
    IUPAC Name: 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
    SMILES: CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N
    InChIKey: GNWHRHGTIBRNSM-UHFFFAOYSA-N
    InChI: InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)
    Synonyms: Dexmethylphenidate (INN) | BCP01922 | CS-0184 | SB10967 | JTT501 | NCGC00168114-01 | UNII-9HC746B1KF | 2-[(6-aminopur...
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