Detailed information for compound 1520448

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 477.984 | Formula: C23H32ClN5O4
  • H donors: 4 H acceptors: 4 LogP: 3.1 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1[nH]cnc1C(=O)NC1CCNCC1)N[C@H](C(=O)OC(C)(C)C)Cc1ccccc1.Cl
  • InChi: 1S/C23H31N5O4.ClH/c1-23(2,3)32-22(31)17(13-15-7-5-4-6-8-15)28-21(30)19-18(25-14-26-19)20(29)27-16-9-11-24-12-10-16;/h4-8,14,16-17,24H,9-13H2,1-3H3,(H,25,26)(H,27,29)(H,28,30);1H/t17-;/m0./s1
  • InChiKey: AJETVNKVWCTQFV-LMOVPXPDSA-N  


Substructure search Similarity search

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 geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni rac gtpase activating protein 0.0019 0.0068 0.0019
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.0022 0.0118 0.015
Schistosoma mansoni hypothetical protein 0.0311 0.4524 0.4497
Toxoplasma gondii diacylglycerol kinase, putative 0.0019 0.0068 0.1035
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0022 0.0118 0.015
Brugia malayi protein kinase C3,putative 0.0019 0.0076 0.0165
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0022 0.0118 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0118 0.015
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0185 0.0137
Echinococcus granulosus N chimaerin 0.0019 0.0068 0.0019
Echinococcus granulosus AMP dependent ligase 0.0022 0.0118 0.0069
Leishmania major NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0318 0.4634 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0022 0.0118 0.015
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0185 0.0137
Echinococcus multilocularis snurportin 1 0.0311 0.4524 0.4497
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0019 0.0068 0.0019
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0185 0.0297
Echinococcus granulosus intermediate filament protein 0.0027 0.0187 0.0139
Brugia malayi RhoGAP domain containing protein 0.0019 0.0068 0.0146
Brugia malayi RhoGAP domain containing protein 0.0019 0.0068 0.0146
Echinococcus granulosus protein kinase C gamma type 0.0152 0.2096 0.2057
Treponema pallidum nitrogen fixation protein (rnfC) 0.0071 0.0865 1
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0019 0.0076 0.0165
Echinococcus granulosus importin subunit beta 1 0.0029 0.0228 0.018
Mycobacterium ulcerans acyl carrier protein 0.0022 0.0118 0.015
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0022 0.0118 0.015
Schistosoma mansoni microtubule-associated protein tau 0.0671 1 1
Loa Loa (eye worm) transcriptional regulator 0.0118 0.1583 0.3415
Echinococcus granulosus RNA directed DNA polymerase 0.0122 0.1636 0.1594
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0118 0.1583 0.3344
Mycobacterium ulcerans polyketide synthase Pks13 0.0022 0.0118 0.015
Mycobacterium ulcerans hypothetical protein 0.0022 0.0118 0.015
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0026 0.0185 0.0137
Brugia malayi diacylglycerol kinase 0.0019 0.0068 0.0146
Schistosoma mansoni diacylglycerol kinase theta 0.0019 0.0068 0.0019
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0488 0.0441
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0118 0.0255
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0318 0.4634 1
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0185 0.0297
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0146
Loa Loa (eye worm) acyl carrier protein 0.0022 0.0118 0.0255
Echinococcus granulosus lamin dm0 0.0027 0.0187 0.0139
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0185 0.0297
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0118 0.015
Echinococcus multilocularis musashi 0.0027 0.0187 0.0139
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0111 0.0134
Echinococcus multilocularis protein kinase c iota type 0.0045 0.0469 0.0422
Brugia malayi NAD-dependent deacetylase SIRT1 0.0017 0.0049 0.0106
Onchocerca volvulus 0.0027 0.0187 0.0517
Loa Loa (eye worm) hypothetical protein 0.0022 0.0118 0.0255
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0026 0.0185 0.0137
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0488 0.0441
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0111 0.3437
Schistosoma mansoni chromatin regulatory protein sir2 0.0118 0.1583 0.1541
Schistosoma mansoni chromatin regulatory protein sir2 0.0118 0.1583 0.1541
Loa Loa (eye worm) hypothetical protein 0.0023 0.0127 0.0273
Echinococcus granulosus NADH dehydrogenase 0.0022 0.0118 0.0069
Mycobacterium leprae Probable polyketide synthase Pks1 0.0022 0.0118 0.5
Schistosoma mansoni lamin 0.0027 0.0187 0.0139
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0488 0.0441
Toxoplasma gondii type I fatty acid synthase, putative 0.0022 0.0118 0.3858
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0126 0.1703 0.3675
Brugia malayi RNA, U transporter 1 0.0083 0.1046 0.2258
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0318 0.4634 1
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0122 0.1636 0.1594
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0118 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0022 0.0118 0.0449
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0022 0.0118 0.015
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0019 0.0068 0.0019
Plasmodium falciparum importin beta, putative 0.0029 0.0228 1
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0068 0.0019
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase I subunit F 0.0318 0.4634 1
Schistosoma mansoni serine/threonine kinase 0.0026 0.0185 0.0137
Brugia malayi Protein kinase domain containing protein 0.0026 0.0185 0.04
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0146
Echinococcus multilocularis serine:threonine protein kinase N2 0.0026 0.0185 0.0137
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0111 0.0062
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0022 0.0118 0.0218
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0022 0.0118 0.015
Brugia malayi diacylglycerol kinase 0.0019 0.0068 0.0146
Trichomonas vaginalis ran, putative 0.0021 0.0111 0.0134
Echinococcus multilocularis Rac GTPase activating protein 1 0.0019 0.0068 0.0019
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0146
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0118 0.015
Schistosoma mansoni hypothetical protein 0.0338 0.493 0.4905
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0318 0.4634 1
Mycobacterium leprae conserved hypothetical protein 0.0022 0.0118 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.198 0.4272
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0026 0.0185 0.0137
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0318 0.4634 0.4608
Mycobacterium ulcerans polyketide synthase MbtD 0.0022 0.0118 0.015
Loa Loa (eye worm) hypothetical protein 0.0026 0.0185 0.04
Entamoeba histolytica protein kinase, putative 0.0026 0.0185 0.0888
Echinococcus granulosus acyl carrier protein mitochondrial 0.0022 0.0118 0.0069
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0118 0.1583 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0111 0.0134
Brugia malayi NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor 0.0318 0.4634 1
Leishmania major GTP-binding protein, putative 0.0021 0.0111 0.0134
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0023 0.0127 0.0078
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.198 0.4272
Loa Loa (eye worm) AGC/PKN protein kinase 0.0026 0.0185 0.04
Plasmodium vivax acyl carrier protein, putative 0.0022 0.0118 0.3858
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0019 0.0076 0.0027
Mycobacterium ulcerans membrane protein ComEA 0.0071 0.0865 0.1779
Schistosoma mansoni lamin 0.0027 0.0187 0.0139
Loa Loa (eye worm) transcriptional regulator 0.0017 0.0049 0.0106
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0118 0.1583 0.1541
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0022 0.0118 0.0255
Echinococcus multilocularis lamin 0.0027 0.0187 0.0139
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0019 0.0076 0.0165
Loa Loa (eye worm) hypothetical protein 0.0017 0.0049 0.0106
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0311 0.4524 0.9762
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0022 0.0118 0.015
Loa Loa (eye worm) sirtuin 4 0.0017 0.0049 0.0106
Schistosoma mansoni atypical protein kinase C 0.0045 0.0469 0.0422
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0022 0.0118 0.015
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0022 0.0118 0.015
Echinococcus granulosus chromatin regulatory protein sir2 0.0118 0.1583 0.1541
Brugia malayi p70 ribosomal S6 kinase beta 0.0026 0.0185 0.04
Schistosoma mansoni protein kinase C mu 0.0019 0.0068 0.0019
Echinococcus multilocularis N chimaerin 0.0019 0.0068 0.0019
Leishmania major importin beta-1 subunit, putative 0.0024 0.0144 0.0206
Entamoeba histolytica acyl-CoA synthetase, putative 0.0022 0.0118 0.0449
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0022 0.0118 0.5
Echinococcus multilocularis myotubularin protein 13 0.0019 0.0068 0.0019
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0022 0.0118 0.015
Onchocerca volvulus NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog 0.0171 0.2384 1
Brugia malayi transcriptional regulator, Sir2 family protein 0.0017 0.0049 0.0106
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0022 0.0118 0.015
Mycobacterium ulcerans Type I modular polyketide synthase 0.0022 0.0118 0.015
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0022 0.0118 0.0255
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0146
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0185 0.0137
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0022 0.0118 0.015
Brugia malayi Protein kinase c protein 2 0.0145 0.1987 0.4288
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.0022 0.0118 0.015
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0019 0.0068 0.0146
Echinococcus granulosus myotubularin protein 13 0.0019 0.0068 0.0019
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0187 0.0404
Echinococcus multilocularis RNA directed DNA polymerase 0.0122 0.1636 0.1594
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0022 0.0118 0.5
Trypanosoma brucei rac serine-threonine kinase, putative 0.0026 0.0185 0.0297
Leishmania major acyl carrier protein, putative 0.0022 0.0118 0.015
Loa Loa (eye worm) raf kinase 0.0019 0.0068 0.0146
Echinococcus multilocularis serine threonine protein kinase 0.0152 0.2096 0.2057
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0026 0.0185 0.04
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0019 0.0076 0.0165
Loa Loa (eye worm) hypothetical protein 0.0027 0.0187 0.0404
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0022 0.0118 0.5
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0111 0.04
Schistosoma mansoni protein kinase C mu 0.0019 0.0076 0.0027
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0146
Brugia malayi protein kinase C II. 0.0049 0.0528 0.1139
Brugia malayi Importin beta-1 subunit 0.0029 0.0228 0.0491
Brugia malayi C1-like domain containing protein 0.0019 0.0076 0.0165
Schistosoma mansoni diacylglycerol kinase theta 0.0019 0.0068 0.0019
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0076 0.0027
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0022 0.0118 0.015
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0185 0.0297
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0026 0.0185 0.0137
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0146
Brugia malayi transcriptional regulator, Sir2 family protein 0.0017 0.0049 0.0106
Mycobacterium tuberculosis Acyl carrier protein (ACP) MbtL 0.0022 0.0118 0.015
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.0118 0.015
Giardia lamblia Hypothetical protein 0.0118 0.1583 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0026 0.0185 0.04
Loa Loa (eye worm) AGC/NDR protein kinase 0.0026 0.0185 0.04
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0022 0.0118 0.0255
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0022 0.0118 0.015
Loa Loa (eye worm) glutaminase 2 0.0266 0.3831 0.8266
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0019 0.0068 0.0019
Brugia malayi Variant SH3 domain containing protein 0.0019 0.0068 0.0146
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0144 0.0206
Plasmodium falciparum acyl carrier protein 0.0022 0.0118 0.3858
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0019 0.0068 0.0019
Loa Loa (eye worm) hypothetical protein 0.0122 0.1636 0.353
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0185 0.0297
Mycobacterium ulcerans Type I modular polyketide synthase 0.0022 0.0118 0.015
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0022 0.0118 0.015
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0118 0.1583 0.3344
Loa Loa (eye worm) transcriptional regulator 0.0017 0.0049 0.0106
Toxoplasma gondii AGC kinase 0.0026 0.0185 0.762
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0488 0.0441
Schistosoma mansoni hypothetical protein 0.0019 0.0068 0.0019
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0022 0.0118 0.3858
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0022 0.0118 0.015
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.0528 0.0481
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative 0.0318 0.4634 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0118 0.1583 1
Mycobacterium tuberculosis Meromycolate extension acyl carrier protein AcpM 0.0022 0.0118 0.015
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F) 0.0318 0.4634 1
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial 0.0318 0.4634 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0022 0.0118 0.5
Schistosoma mansoni chromatin regulatory protein sir2 0.0118 0.1583 0.1541
Brugia malayi transcriptional regulator, Sir2 family protein 0.0118 0.1583 0.3415
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0026 0.0185 0.0137
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0144 0.0206
Entamoeba histolytica Ran family GTPase 0.0021 0.0111 0.04
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0146
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0022 0.0118 0.0255
Onchocerca volvulus 0.0022 0.0118 0.0218
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0187 0.0404
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) flavoprotein 1 0.0318 0.4634 0.4608
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0026 0.0185 0.04
Brugia malayi Hr1 repeat family protein 0.0026 0.0185 0.04
Schistosoma mansoni acyl carrier protein 0.0022 0.0118 0.0069
Plasmodium vivax importin-beta 2, putative 0.0029 0.0228 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0022 0.0118 0.015
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0144 0.0206
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0022 0.0118 0.015
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0026 0.0185 0.04
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0488 0.0441
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0023 0.0127 0.0078
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0019 0.0068 0.0146
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0118 0.1583 0.3344
Schistosoma mansoni unc-13 (munc13) 0.0023 0.0127 0.0078
Entamoeba histolytica hypothetical protein 0.0024 0.0144 0.0617
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0111 0.0134
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0022 0.0118 0.015
Brugia malayi Ras association domain family 1 isoform A 0.0019 0.0068 0.0146
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0228 0.018
Schistosoma mansoni serine/threonine protein kinase 0.017 0.238 0.2342
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0022 0.0118 0.015
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0022 0.0118 0.015
Brugia malayi MH2 domain containing protein 0.0144 0.198 0.4272
Entamoeba histolytica protein kinase, putative 0.0026 0.0185 0.0888
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0022 0.0118 0.015
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0022 0.0118 0.015
Echinococcus multilocularis serine:threonine protein kinase 38 0.0026 0.0185 0.0137
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0146
Echinococcus granulosus protein kinase c iota type 0.0045 0.0469 0.0422
Echinococcus granulosus lamin 0.0027 0.0187 0.0139
Loa Loa (eye worm) hypothetical protein 0.0029 0.0228 0.0491
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0022 0.0118 0.015
Loa Loa (eye worm) hypothetical protein 0.014 0.192 0.4142
Leishmania major silent information regulator 2, putative 0.0118 0.1583 0.3344
Mycobacterium tuberculosis Probable acyl carrier protein AcpA (ACP) 0.0022 0.0118 0.015
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0488 0.1053
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.0022 0.0118 0.015
Echinococcus multilocularis geminin 0.0338 0.493 0.4905
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0022 0.0118 0.015
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0019 0.0068 0.0146
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0228 0.039
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0111 0.0238
Echinococcus granulosus raf serine:threonine protein kinase 0.0019 0.0068 0.0019
Echinococcus multilocularis chromatin regulatory protein sir2 0.0118 0.1583 0.1541
Entamoeba histolytica diacylglycerol kinase, putative 0.0019 0.0068 0.0121
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0185 0.0297
Schistosoma mansoni glutaminase 0.0266 0.3831 0.38
Chlamydia trachomatis acyl carrier protein 0.0022 0.0118 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0488 0.0441
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0076 0.0027
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0111 0.3437
Schistosoma mansoni vav2 0.0019 0.0068 0.0019
Echinococcus granulosus Protein kinase C brain isozyme 0.017 0.238 0.2342
Echinococcus multilocularis Protein kinase C, brain isozyme 0.017 0.238 0.2342
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0185 0.0297
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0187 0.0404
Loa Loa (eye worm) acyl carrier protein 0.0022 0.0118 0.0255
Toxoplasma gondii type I fatty acid synthase, putative 0.0022 0.0118 0.3858
Brugia malayi Pleckstrin Homology Domain 0.0019 0.0068 0.0146
Echinococcus multilocularis Diacylglycerol kinase theta 0.0019 0.0068 0.0019
Brugia malayi glutaminase DH11.1 0.0266 0.3831 0.8266
Loa Loa (eye worm) hypothetical protein 0.0026 0.018 0.0389
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0185 0.0297
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0185 0.0297
Schistosoma mansoni ran 0.0021 0.0111 0.0062
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0118 0.1583 0.1541
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0488 0.1053
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0022 0.0118 0.015
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0488 0.0441
Schistosoma mansoni ran 0.0021 0.0111 0.0062
Onchocerca volvulus Fatty acid synthase homolog 0.0022 0.0118 0.0218
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0144 0.0206
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0022 0.0118 0.0069
Onchocerca volvulus 0.0022 0.0118 0.0218
Mycobacterium tuberculosis Conserved hypothetical protein 0.0071 0.0865 0.1779
Schistosoma mansoni unc-13 (munc13) 0.0023 0.0127 0.0078
Schistosoma mansoni protein kinase C 0.0023 0.0127 0.0078
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0146
Echinococcus granulosus geminin 0.0338 0.493 0.4905
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0026 0.0185 0.0137
Echinococcus multilocularis unc 13 (munc13) 0.0023 0.0127 0.0078
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0228 0.039
Brugia malayi Protein kinase domain containing protein 0.0026 0.0185 0.04
Echinococcus multilocularis protein kinase c epsilon type 0.0049 0.0528 0.0481
Mycobacterium ulcerans polyketide synthase 0.0022 0.0118 0.015
Loa Loa (eye worm) glutaminase 0.0266 0.3831 0.8266
Echinococcus granulosus NADH dehydrogenase ubiquinone flavoprotein 1 0.0318 0.4634 0.4608
Toxoplasma gondii acyl carrier protein ACP 0.0022 0.0118 0.3858
Echinococcus granulosus snurportin 1 0.0311 0.4524 0.4497
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0185 0.0137
Schistosoma mansoni hypothetical protein 0.0338 0.493 0.4905
Brugia malayi Phosphopantetheine attachment site family protein 0.0022 0.0118 0.0255
Echinococcus granulosus protein kinase c epsilon type 0.0049 0.0528 0.0481
Echinococcus granulosus serine:threonine protein kinase N2 0.0026 0.0185 0.0137
Mycobacterium leprae Polyketide synthase Pks13 0.0022 0.0118 0.5
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0118 0.1583 0.3344
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0022 0.0118 0.0255
Mycobacterium ulcerans NADH dehydrogenase I subunit F 0.0318 0.4634 1
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0019 0.0076 0.0027
Onchocerca volvulus 0.0022 0.0118 0.0218
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0146
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0111 0.0062
Schistosoma mansoni importin beta-1 0.0029 0.0228 0.018
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0228 1
Echinococcus multilocularis lamin dm0 0.0027 0.0187 0.0139
Echinococcus granulosus Diacylglycerol kinase theta 0.0019 0.0068 0.0019
Echinococcus multilocularis serine:threonine protein kinase N2 0.0026 0.0185 0.0137
Brugia malayi Protein kinase domain containing protein 0.0026 0.0185 0.04
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0118 0.0255
Echinococcus multilocularis protein kinase c eta type 0.0019 0.0068 0.0019
Loa Loa (eye worm) NADH-ubiquinone oxidoreductase 51 kDa subunit 0.0318 0.4634 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0022 0.0118 0.015
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0185 0.0297
Schistosoma mansoni intermediate filament proteins 0.0027 0.0187 0.0139
Loa Loa (eye worm) AGC/AKT protein kinase 0.0026 0.0185 0.04
Trichomonas vaginalis glutaminase, putative 0.0266 0.3831 0.8247
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0111 0.0238
Brugia malayi RhoGEF domain containing protein 0.0019 0.0068 0.0146
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0022 0.0118 0.0255
Mycobacterium ulcerans polyketide synthase Pks9 0.0022 0.0118 0.015
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0026 0.0177 0.0278
Echinococcus multilocularis raf serine:threonine protein kinase 0.0019 0.0068 0.0019
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0022 0.0118 0.5
Onchocerca volvulus 0.0027 0.0187 0.0517
Echinococcus granulosus protein kinase c eta type 0.0019 0.0068 0.0019
Mycobacterium ulcerans acyl carrier protein 0.0022 0.0118 0.015
Entamoeba histolytica protein kinase, putative 0.0026 0.0185 0.0888
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0111 0.3437
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0318 0.4634 1
Schistosoma mansoni hypothetical protein 0.0022 0.0118 0.0069
Loa Loa (eye worm) RasGEF domain-containing protein 0.0019 0.0068 0.0146
Entamoeba histolytica hypothetical protein 0.0019 0.0068 0.0121
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0022 0.0118 0.015
Echinococcus granulosus NDR protein kinase 0.0026 0.0185 0.0137
Mycobacterium ulcerans polyketide synthase 0.0022 0.0118 0.015
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0022 0.0118 0.3858
Echinococcus multilocularis microtubule associated protein 2 0.0671 1 1
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0022 0.0118 0.015
Mycobacterium ulcerans glutaminase 0.0266 0.3831 0.8247
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0022 0.0118 0.015
Echinococcus multilocularis NADH dehydrogenase 0.0022 0.0118 0.0069
Echinococcus granulosus Rac GTPase activating protein 1 0.0019 0.0068 0.0019
Echinococcus multilocularis AMP dependent ligase 0.0022 0.0118 0.0069
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0022 0.0118 0.015
Schistosoma mansoni serine/threonine protein kinase 0.017 0.238 0.2342
Echinococcus granulosus unc 13 munc13 0.0023 0.0127 0.0078
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0185 0.0297
Onchocerca volvulus 0.0023 0.0127 0.0255
Brugia malayi Protein kinase domain containing protein 0.0019 0.0076 0.0165
Brugia malayi intermediate filament protein 0.0027 0.0187 0.0404
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0022 0.0118 0.5
Entamoeba histolytica diacylglycerol kinase, putative 0.0019 0.0068 0.0121
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0118 0.1583 0.3344
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0049 0.0528 0.1139
Entamoeba histolytica protein kinase, putative 0.0026 0.0185 0.0888

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.1735 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) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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