Detailed information for compound 1269902

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 436.484 | Formula: C22H20N4O4S
  • H donors: 1 H acceptors: 2 LogP: 2.95 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)Cn1c2ccc(cc2c2c1c(=O)n1CCSc1n2)OC
  • InChi: 1S/C22H20N4O4S/c1-29-14-5-3-4-13(10-14)23-18(27)12-26-17-7-6-15(30-2)11-16(17)19-20(26)21(28)25-8-9-31-22(25)24-19/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,27)
  • InChiKey: KFKPIVDMZHYRHU-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens relaxin/insulin-like family peptide receptor 1 Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens snurportin 1 No references
Homo sapiens arginine vasopressin receptor 1B Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1) Envelope polyprotein GP160 Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0482 0.1074 0.4521
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0164 0.0311 0.1579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0164 0.0311 0.1579
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0164 0.0311 0.0803
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0049 0.0127
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1023 0.2375 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0712 0.1628 0.6854
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0043 0.002 0.0082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0482 0.1074 0.4521
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0164 0.0311 0.0803
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0164 0.0311 0.1311
Loa Loa (eye worm) cyclin domain-containing protein 0.0241 0.0495 0.2086
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0164 0.0311 0.0804
Trichomonas vaginalis PIKK family atypical protein kinase 0.0651 0.148 0.6231
Plasmodium falciparum glycogen synthase kinase 3 0.0048 0.0031 0.1001
Trichomonas vaginalis PIKK family atypical protein kinase 0.1023 0.2375 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0712 0.1628 0.4204
Plasmodium vivax protein kinase Crk2 0.0043 0.002 0.0628
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0164 0.0311 0.0803
Trichomonas vaginalis conserved hypothetical protein 0.0317 0.0679 0.2858
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.002 0.005
Loa Loa (eye worm) hypothetical protein 0.0169 0.0322 0.1357
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0048 0.0031 0.0031
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0164 0.0311 0.1579
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0164 0.0311 0.0803
Loa Loa (eye worm) hypothetical protein 0.0035 0 0.0001
Loa Loa (eye worm) phosphatidylinositol 3 0.0164 0.0311 0.1311
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0164 0.0311 0.1309
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0164 0.0311 0.0804
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0164 0.0311 0.0311
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.002 0.0081
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0164 0.0311 0.1311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Trypanosoma cruzi cdc2-related kinase 1 0.0043 0.002 0.005
Brugia malayi Cyclin, N-terminal domain containing protein 0.0035 0 0.0001
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0048 0.0031 0.0131
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0031 0.013
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0164 0.0311 0.0804
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0164 0.0311 0.0803
Echinococcus multilocularis cyclin dependent kinase 1 0.0043 0.002 0.002
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0048 0.0031 0.008
Loa Loa (eye worm) hypothetical protein 0.0164 0.0311 0.1311
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0395 0.0865 0.2234
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0712 0.1628 0.6854
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0164 0.0311 0.0804
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0164 0.0311 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0164 0.0311 1
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0164 0.0311 0.0311
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0854 0.1969 0.5255
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0482 0.1074 0.1074
Loa Loa (eye worm) hypothetical protein 0.0482 0.1074 0.4522
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Schistosoma mansoni hypothetical protein 0.0372 0.0809 0.209
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0164 0.0311 0.1309
Trichomonas vaginalis PIKK family atypical protein kinase 0.0537 0.1206 0.5078
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0049 0.0049
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0164 0.0311 0.1579
Plasmodium vivax glycogen synthase kinase 3, putative 0.0048 0.0031 0.1001
Entamoeba histolytica hypothetical protein 0.0164 0.0311 0.1579
Giardia lamblia Kinase, CMGC CDK 0.0043 0.002 0.0098
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0854 0.1969 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0017 0.0073
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0164 0.0311 0.0803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0482 0.1074 0.4521
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0164 0.0311 0.1579
Plasmodium vivax hypothetical protein 0.0164 0.0311 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0537 0.1206 0.6126
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0164 0.0311 0.1581
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1647 0.3872 0.3872
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0164 0.0311 0.0804
Giardia lamblia Phosphatidylinositol 4-kinase 0.0164 0.0311 0.1579
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0164 0.0311 0.1309
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0854 0.1969 0.8291
Trichomonas vaginalis PIKK family atypical protein kinase 0.0164 0.0311 0.1309
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Brugia malayi intracellular kinase 0.0048 0.0031 0.008
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0164 0.0311 0.0311
Echinococcus granulosus cyclin dependent kinase 5 0.0043 0.002 0.002
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.002 0.0081
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1647 0.3872 0.3872
Echinococcus multilocularis cyclin dependent kinase 5 0.0043 0.002 0.002
Mycobacterium tuberculosis Conserved hypothetical protein 0.0164 0.0311 0.5
Trypanosoma cruzi target of rapamycin kinase 3 0.0854 0.1969 0.5085
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0048 0.0031 0.008
Trypanosoma cruzi cdc2-related kinase 1 0.0043 0.002 0.005
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1647 0.3872 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0854 0.1969 0.5085
Loa Loa (eye worm) hypothetical protein 0.0164 0.0311 0.1311
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0164 0.0311 1
Giardia lamblia Kinase, CMGC GSK 0.0048 0.0031 0.0157
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0164 0.0311 0.0804
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0854 0.1969 0.5255
Trypanosoma cruzi cdc2-related kinase 3 0.0043 0.002 0.005
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0164 0.0311 0.1309
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0164 0.0311 0.0804
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Onchocerca volvulus 0.0164 0.0311 1
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0048 0.0031 0.0031
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.002 0.0081
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0164 0.0311 0.1311
Giardia lamblia Kinase, CMGC CDK 0.0043 0.002 0.0098
Leishmania major phosphatidylinositol 3-kinase, putative 0.0854 0.1969 0.5255
Toxoplasma gondii FATC domain-containing protein 0.0712 0.1628 0.8268
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0164 0.0311 0.1581
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0164 0.0311 0.1579
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0854 0.1969 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0854 0.1969 0.5085
Mycobacterium leprae conserved hypothetical protein 0.0164 0.0311 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0164 0.0311 0.1579
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0164 0.0311 0.0311
Echinococcus multilocularis cyclin dependent kinase 0.0043 0.002 0.002
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0164 0.0311 0.0311
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.4198 1 1
Echinococcus multilocularis protein kinase shaggy 0.0048 0.0031 0.0031
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0164 0.0311 0.1311
Trypanosoma brucei cdc2-related kinase 3 0.0043 0.002 0.0082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Brugia malayi cell division control protein 2 homolog 0.0043 0.002 0.005
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0164 0.0311 0.0803
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0164 0.0311 0.0804
Entamoeba histolytica cell division protein kinase 2, putative 0.0043 0.002 0.0098
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0164 0.0311 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0164 0.0311 0.1309
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0164 0.0311 0.0311
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0049 0.0049
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0482 0.1074 0.2773
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0164 0.0311 0.083
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0482 0.1074 0.2774
Leishmania major phosphatidylinositol 4-kinase, putative 0.0164 0.0311 0.083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0049 0.0049
Leishmania major phosphatidylinositol 3-kinase, putative 0.0164 0.0311 0.083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0482 0.1074 0.4521
Trypanosoma brucei cdc2-related kinase 1 0.0043 0.002 0.0082
Echinococcus multilocularis cyclin dependent kinase 1 0.0043 0.002 0.002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0164 0.0311 0.1581
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0164 0.0311 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0043 0.002 0.0099
Giardia lamblia Hypothetical protein 0.0164 0.0311 0.1579
Onchocerca volvulus 0.0164 0.0311 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0164 0.0311 0.0804
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1023 0.2375 0.6339
Loa Loa (eye worm) cyclin domain-containing protein 0.0035 0 0.0001
Trypanosoma cruzi hypothetical protein, conserved 0.143 0.3351 0.8655
Brugia malayi RNA, U transporter 1 0.0099 0.0154 0.0398
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0031 0.013
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0049 0.0049
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0854 0.1969 0.5085
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0548 0.1233 0.3184
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0373 0.0811 0.0811
Plasmodium vivax hypothetical protein, conserved 0.0164 0.0311 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.2269 0.2269
Schistosoma mansoni hypothetical protein 0.0164 0.0311 0.0804
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0164 0.0311 0.1309
Trichomonas vaginalis PIKK family atypical protein kinase 0.0164 0.0311 0.1309
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0854 0.1969 0.8291
Trichomonas vaginalis PIKK family atypical protein kinase 0.0482 0.1074 0.4521
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0164 0.0311 0.0804
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0854 0.1969 0.8291
Onchocerca volvulus 0.0048 0.0031 0.0991
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0164 0.0311 0.0804
Trichomonas vaginalis conserved hypothetical protein 0.0373 0.0811 0.3415
Loa Loa (eye worm) phosphatidylinositol 3 0.1023 0.2375 1
Entamoeba histolytica protein kinase, putative 0.0048 0.0031 0.0157
Schistosoma mansoni cyclin B3 0.0035 0 0.0001
Entamoeba histolytica hypothetical protein 0.0712 0.1628 0.8267
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0164 0.0311 0.1309
Loa Loa (eye worm) phosphatidylinositol kinase 0.0164 0.0311 0.1311
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0043 0.002 0.0051
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1647 0.3872 1
Trypanosoma cruzi cdc2-related kinase 3 0.0043 0.002 0.005
Loa Loa (eye worm) phosphatidylinositol 3 0.0164 0.0311 0.1311
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0854 0.1969 0.1969
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0164 0.0311 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0164 0.0311 0.1309
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0854 0.1969 0.5255
Echinococcus granulosus cyclin dependent kinase 1 0.0043 0.002 0.002
Leishmania major hypothetical protein, conserved 0.1594 0.3746 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0164 0.0311 0.1581
Schistosoma mansoni cyclin B 0.0035 0 0.0001
Brugia malayi Protein kinase domain containing protein 0.0043 0.002 0.005
Loa Loa (eye worm) hypothetical protein 0.0373 0.0811 0.3416
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0712 0.1628 0.4204
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0164 0.0311 0.1311
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0164 0.0311 0.0803
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0164 0.0311 0.0803
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0537 0.1206 0.5079
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0164 0.0311 0.0311
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0043 0.002 0.002
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0164 0.0311 0.1309
Brugia malayi Cyclin, N-terminal domain containing protein 0.0035 0 0.0001
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0049 0.0207
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0164 0.0311 0.0311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0317 0.0679 0.2858
Loa Loa (eye worm) phosphatidylinositol 3 0.0164 0.0311 0.1311
Entamoeba histolytica hypothetical protein 0.0164 0.0311 0.1579
Loa Loa (eye worm) phosphatidylinositol 3 0.0854 0.1969 0.8291
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0482 0.1074 0.1074
Loa Loa (eye worm) phosphatidylinositol 3 0.0164 0.0311 0.1311
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0651 0.148 0.7516
Brugia malayi FAT domain containing protein 0.0373 0.0811 0.2095
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0164 0.0311 0.1581
Echinococcus multilocularis Zinc finger, PHD finger 0.0164 0.0311 0.0311
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0164 0.0311 0.0804
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0164 0.0311 0.1309
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1647 0.3872 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0164 0.0311 0.1309
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Trichomonas vaginalis PIKK family atypical protein kinase 0.0164 0.0311 0.1309
Loa Loa (eye worm) phosphatidylinositol 3 0.0164 0.0311 0.1311
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0049 0.0127
Leishmania major hypothetical protein, unknown function 0.0164 0.0311 0.083
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0164 0.0311 0.1309
Loa Loa (eye worm) hypothetical protein 0.0548 0.1233 0.5192
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0043 0.002 0.0082
Schistosoma mansoni cyclins 0.0035 0 0.0001
Echinococcus granulosus snurportin 1 0.0372 0.0809 0.0809
Echinococcus multilocularis serine protein kinase ATM 0.0712 0.1628 0.1628
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0048 0.0031 0.0158
Schistosoma mansoni hypothetical protein 0.0373 0.0811 0.2095
Brugia malayi Cyclin, N-terminal domain containing protein 0.0035 0 0.0001
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0164 0.0311 0.1579
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0164 0.0311 0.0311
Echinococcus granulosus serine protein kinase ATM 0.0712 0.1628 0.1628
Trypanosoma brucei mitotic cyclin 6 0.0035 0 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0049 0.0127
Plasmodium falciparum protein kinase 5 0.0043 0.002 0.0628
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0164 0.0311 0.0804
Loa Loa (eye worm) hypothetical protein 0.0035 0 0.0001
Leishmania major phosphatidylinositol kinase related protein, putative 0.0395 0.0865 0.2309
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1647 0.3872 1
Trichomonas vaginalis conserved hypothetical protein 0.0537 0.1206 0.5078
Trypanosoma brucei protein kinase, putative 0.0048 0.0031 0.0131
Giardia lamblia GTOR 0.0854 0.1969 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0164 0.0311 0.1311
Entamoeba histolytica protein kinase rad3, putative 0.0482 0.1074 0.5454
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0854 0.1969 0.1969
Giardia lamblia Kinase, CMGC GSK 0.0048 0.0031 0.0157
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0854 0.1969 0.5085
Loa Loa (eye worm) hypothetical protein 0.0537 0.1206 0.5079
Echinococcus granulosus cyclin dependent kinase 0.0043 0.002 0.002
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0043 0.002 0.0082
Echinococcus granulosus protein kinase shaggy 0.0048 0.0031 0.0031
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0048 0.0031 0.0082
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0164 0.0311 0.0804
Entamoeba histolytica hypothetical protein 0.0164 0.0311 0.1579
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0164 0.0311 0.1579
Entamoeba histolytica cell division protein kinase 2, putative 0.0043 0.002 0.0098
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0712 0.1628 0.4204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Trichomonas vaginalis PIKK family atypical protein kinase 0.0482 0.1074 0.4521
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0373 0.0811 0.0811
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0164 0.0311 0.1309
Plasmodium falciparum cyclin 0.0035 0 0.0011
Loa Loa (eye worm) hypothetical protein 0.0169 0.0322 0.1357
Echinococcus multilocularis 0.0164 0.0311 0.0311
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0049 0.0127
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0164 0.0311 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0164 0.0311 0.0311
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0854 0.1969 0.8291
Entamoeba histolytica protein kinase domain containing protein 0.0048 0.0031 0.0157
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0164 0.0311 0.0311
Echinococcus multilocularis snurportin 1 0.0372 0.0809 0.0809
Schistosoma mansoni fkbp-rapamycin associated protein 0.0482 0.1074 0.2774
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.0809 0.3408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.1969 0.829
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0164 0.0311 0.0311
Toxoplasma gondii target of rapamycin (TOR), putative 0.0854 0.1969 1
Entamoeba histolytica protein kinase domain containing protein 0.0048 0.0031 0.0157
Leishmania major phosphatidylinositol kinase, putative 0.0164 0.0311 0.083
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0043 0.002 0.0051
Brugia malayi Cyclin, N-terminal domain containing protein 0.0241 0.0495 0.1279
Entamoeba histolytica hypothetical protein 0.0164 0.0311 0.1579
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0048 0.0031 0.0131
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0164 0.0311 0.1579
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.002 0.005

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 8.952 uM PubChem BioAssay. Counterscreen for discovery of small molecules that bind to the HIV-1-gp120 binding antibody, PG9: TR-FRET-based biochemical high throughput dose response assay to identify small molecules that bind to the control antibody, PGV04, which binds to a distinct site on the HIV envelope different from the PG9 binding site. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 11.178 uM PubChem BioAssay. Counterscreen for discovery of small molecules that bind to the HIV-1-gp120 binding antibody, PG9: TR-FRET-based biochemical high throughput dose response assay to identify small molecules that bind to the control antibody, PG126, which binds to a distinct site on the HIV envelope different from the PG9 binding site. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 67.04 uM PubChem BioAssay. TRFRET-based biochemical high throughput dose response assay for small molecules that bind to the HIV-1-gp120 binding antibody, PG9. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5805 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 2.31 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 3.0881 uM PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: THP1 Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.2648 uM PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: V1B Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489012] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 17.3245 uM PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: RXFP1 Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489043, AID492948] ChEMBL. No reference
Potency (functional) 21.8103 uM PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1: RXFP2 Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2676, AID2703, AID489012] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6294 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae ChEMBL23
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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