Detailed information for compound 1428273

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 398.409 | Formula: C21H22N2O6
  • H donors: 1 H acceptors: 4 LogP: 2.55 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1cc(=O)oc2c1ccc(c2)OC(=O)CN1C(=O)NC2(C1=O)CCCC2
  • InChi: 1S/C21H22N2O6/c1-2-5-13-10-17(24)29-16-11-14(6-7-15(13)16)28-18(25)12-23-19(26)21(22-20(23)27)8-3-4-9-21/h6-7,10-11H,2-5,8-9,12H2,1H3,(H,22,27)
  • InChiKey: FTRNTSPUZGKVTK-UHFFFAOYSA-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 RAN, member RAS oncogene family No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens snurportin 1 No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran 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
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta 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 mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 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
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana GTP-binding protein, putative 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
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 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 japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis importin subunit beta 1 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
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
Trypanosoma congolense importin beta-1 subunit, 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
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi 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
Trypanosoma brucei gambiense 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
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 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
Echinococcus granulosus importin subunit beta 1 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
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 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 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
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 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
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative 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
Leishmania major importin beta-1 subunit, 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
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis ran, 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
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Loa Loa (eye worm) hypothetical protein 0.0057 0.0358 0.0358
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.011 0.1201 0.2551
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0124 0.1422 0.2656
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0057 0.0358 0.0358
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0067 0.0511 0.0511
Onchocerca volvulus 0.0124 0.1422 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0329 0.4675 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.011 0.1201 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0138 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.2699 0.504
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0057 0.0358 0.0358
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0124 0.1422 0.2656
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0138 0.0138
Schistosoma mansoni nAChR subunit 0.0124 0.1422 0.2656
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0124 0.1422 0.2656
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0057 0.0358 0.0669
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.011 0.1201 0.2344
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0057 0.0358 0.0358
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0124 0.1422 0.2656
Trypanosoma brucei cytochrome P450, putative 0.0232 0.3136 1
Brugia malayi RNA, U transporter 1 0.0099 0.102 0.102
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.011 0.1201 0.2344
Onchocerca volvulus 0.0057 0.0358 0.1715
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.011 0.1201 0.2551
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0138 0.0257
Echinococcus granulosus glycine receptor subunit beta 0.0124 0.1422 0.2656
Loa Loa (eye worm) cytochrome P450 family protein 0.0232 0.3136 0.3136
Echinococcus multilocularis snurportin 1 0.0372 0.5355 1
Brugia malayi hypothetical protein 0.0057 0.0358 0.0358
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0124 0.1422 0.2656
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.011 0.1201 0.2344
Echinococcus granulosus cytochrome P450 2K1 0.011 0.1201 0.2243
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0138 0.5
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.011 0.1201 0.2344
Schistosoma mansoni nAChR subunit 0.0124 0.1422 0.2656
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0124 0.1422 0.2656
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0124 0.1422 0.1422
Loa Loa (eye worm) hypothetical protein 0.0057 0.0358 0.0358
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.011 0.1201 0.2344
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0124 0.1422 0.1422
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0124 0.1422 0.1422
Echinococcus granulosus nAChR subunit 0.0067 0.0511 0.0954
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0138 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.011 0.1201 0.383
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.011 0.1201 0.2344
Loa Loa (eye worm) ACC-1 protein 0.0124 0.1422 0.1422
Mycobacterium leprae putative cytochrome p450 0.011 0.1201 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0138 0.0257
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0124 0.1422 0.2656
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.011 0.1201 0.2551
Leishmania major lanosterol 14-alpha-demethylase, putative 0.011 0.1201 0.3547
Loa Loa (eye worm) ACC-1 protein 0.0124 0.1422 0.1422
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0124 0.1422 0.2656
Loa Loa (eye worm) hypothetical protein 0.0043 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0043 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0124 0.1422 0.1422
Loa Loa (eye worm) hypothetical protein 0.0043 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Echinococcus multilocularis nAChR subunit 0.0124 0.1422 0.2656
Brugia malayi hypothetical protein 0.0057 0.0358 0.0358
Brugia malayi Cytochrome P450 family protein 0.0398 0.5772 0.5772
Loa Loa (eye worm) hypothetical protein 0.0057 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Loa Loa (eye worm) hypothetical protein 0.0067 0.0511 0.0511
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.011 0.1201 0.2551
Mycobacterium leprae Conserved hypothetical protein 0.011 0.1201 1
Loa Loa (eye worm) cytochrome P450 0.011 0.1201 0.1201
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0124 0.1422 0.2656
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0124 0.1422 0.2656
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.011 0.1201 0.2551
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.011 0.1201 0.2551
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.011 0.1201 0.2551
Loa Loa (eye worm) cytochrome P450 family protein 0.0398 0.5772 0.5772
Echinococcus multilocularis 0.011 0.1201 0.2243
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Brugia malayi Cytochrome P450 family protein 0.011 0.1201 0.1201
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0124 0.1422 0.2656
Brugia malayi Cation transporter family protein 0.0124 0.1422 0.1422
Loa Loa (eye worm) hypothetical protein 0.0057 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.0057 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.011 0.1201 0.3547
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0124 0.1422 0.2656
Trichomonas vaginalis esterase, putative 0.0043 0.0138 0.5
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Schistosoma mansoni lipoxygenase 0.0131 0.1523 0.2845
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.011 0.1201 0.2551
Schistosoma mansoni nAChR subunit 0.0124 0.1422 0.2656
Schistosoma mansoni nAChR subunit 0.0124 0.1422 0.2656
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Schistosoma mansoni nAChR subunit 0.0124 0.1422 0.2656
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.011 0.1201 0.2551
Brugia malayi cytochrome P450 0.011 0.1201 0.1201
Brugia malayi beta-lactamase family protein 0.0043 0.0138 0.0138
Schistosoma mansoni acetylcholine receptor subunit beta 0.0057 0.0358 0.0669
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.011 0.1201 0.2551
Echinococcus multilocularis geminin 0.0205 0.2699 0.504
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.011 0.1201 0.2551
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0124 0.1422 0.2656
Onchocerca volvulus 0.0067 0.0511 0.2906
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0131 0.1523 0.2845
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0306 0.4307 1
Trypanosoma cruzi cytochrome P450, putative 0.0232 0.3136 1
Echinococcus multilocularis nAChR subunit 0.0067 0.0511 0.0954
Echinococcus granulosus snurportin 1 0.0372 0.5355 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0057 0.0358 0.0669
Onchocerca volvulus 0.0124 0.1422 1
Onchocerca volvulus 0.0067 0.0511 0.2906
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.011 0.1201 0.2344
Echinococcus granulosus glycine receptor subunit beta 0.0124 0.1422 0.2656
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0067 0.0511 0.0511
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.1422 0.1422
Schistosoma mansoni neurotransmitter gated ion channel 0.0067 0.0511 0.0954
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.011 0.1201 0.2344
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.011 0.1201 0.2344
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0057 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.0057 0.0358 0.0358
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0138 0.0138
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.1422 0.1422
Loa Loa (eye worm) hypothetical protein 0.0067 0.0511 0.0511
Loa Loa (eye worm) hypothetical protein 0.0664 1 1
Brugia malayi Cytochrome P450 family protein 0.0232 0.3136 0.3136
Loa Loa (eye worm) hypothetical protein 0.0057 0.0358 0.0358
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.1422 0.1422
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0124 0.1422 0.1422
Trypanosoma cruzi cytochrome p450-like protein, putative 0.011 0.1201 0.3547
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Entamoeba histolytica hypothetical protein 0.0067 0.0511 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0232 0.3136 0.3136
Loa Loa (eye worm) hypothetical protein 0.0057 0.0358 0.0358
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0057 0.0358 0.0358
Brugia malayi excitatory GABA receptor EXP-1A 0.0124 0.1422 0.1422
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0138 0.0257
Schistosoma mansoni cytochrome P450 0.011 0.1201 0.2243
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.011 0.1201 0.2344
Echinococcus multilocularis glycine receptor subunit beta 0.0124 0.1422 0.2656
Onchocerca volvulus 0.0124 0.1422 1
Brugia malayi hypothetical protein 0.0057 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.0043 0.0138 0.0138
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.011 0.1201 0.2551
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0138 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0131 0.1523 0.2845
Loa Loa (eye worm) hypothetical protein 0.0067 0.0511 0.0511
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0124 0.1422 0.1422
Echinococcus granulosus nAChR subunit 0.0124 0.1422 0.2656
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.011 0.1201 0.2551
Trypanosoma cruzi cytochrome P450, putative 0.0232 0.3136 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.1422 0.1422
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0124 0.1422 0.1422
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0067 0.0511 0.0954
Leishmania major cytochrome p450-like protein 0.0232 0.3136 1
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.011 0.1201 0.2344
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Onchocerca volvulus Putative nachr subunit 0.0124 0.1422 1
Brugia malayi hypothetical protein 0.0057 0.0358 0.0358
Echinococcus granulosus geminin 0.0205 0.2699 0.504
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0138 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0138 0.5
Leishmania major cytochrome p450-like protein 0.011 0.1201 0.3547
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0057 0.0358 0.0669
Onchocerca volvulus 0.0057 0.0358 0.1715
Echinococcus granulosus glycine receptor subunit alpha 1 0.0124 0.1422 0.2656
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0124 0.1422 0.2656
Loa Loa (eye worm) hypothetical protein 0.0067 0.0511 0.0511
Loa Loa (eye worm) hypothetical protein 0.0067 0.0511 0.0511
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.011 0.1201 0.2344
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0057 0.0358 0.0358
Loa Loa (eye worm) CYP4Cod1 0.0232 0.3136 0.3136
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Brugia malayi hypothetical protein 0.0057 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.0607 0.9089 0.9089
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0124 0.1422 0.1422
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0057 0.0358 0.0669
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Leishmania major cytochrome p450-like protein 0.011 0.1201 0.3547
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0124 0.1422 0.2656
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0124 0.1422 0.1422
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.011 0.1201 0.2551
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0124 0.1422 0.1422
Schistosoma mansoni nAChR subunit 0.0057 0.0358 0.0669
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0124 0.1422 0.1422
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.011 0.1201 0.2344
Loa Loa (eye worm) hypothetical protein 0.0057 0.0358 0.0358
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.1422 0.1422
Schistosoma mansoni nAChR subunit 0.0124 0.1422 0.2656
Toxoplasma gondii ABC1 family protein 0.0043 0.0138 0.1146
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Onchocerca volvulus 0.0124 0.1422 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.5355 0.5355
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.011 0.1201 0.2344
Schistosoma mansoni hypothetical protein 0.011 0.1201 0.2243
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0067 0.0511 0.0511
Schistosoma mansoni lipoxygenase 0.0091 0.0898 0.1678
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.011 0.1201 0.2344
Loa Loa (eye worm) GABA receptor subunit 0.0067 0.0511 0.0511
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0124 0.1422 0.2656
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0124 0.1422 0.2656
Schistosoma mansoni acetylcholine receptor-related 0.0057 0.0358 0.0669
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0124 0.1422 0.2656
Echinococcus multilocularis glycine receptor subunit beta 0.0124 0.1422 0.2656
Loa Loa (eye worm) hypothetical protein 0.0057 0.0358 0.0358
Schistosoma mansoni nAChR subunit 0.0057 0.0358 0.0669
Loa Loa (eye worm) hypothetical protein 0.0043 0.0138 0.0138
Plasmodium falciparum importin beta, putative 0.0035 0 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0329 0.4675 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0124 0.1422 0.2656
Loa Loa (eye worm) LGC-31 protein 0.0124 0.1422 0.1422
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0232 0.3136 0.6608
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.011 0.1201 0.2551
Brugia malayi Cation transporter family protein 0.0124 0.1422 0.1422
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.011 0.1201 0.2551
Loa Loa (eye worm) hypothetical protein 0.0057 0.0358 0.0358
Onchocerca volvulus 0.0124 0.1422 1
Schistosoma mansoni hypothetical protein 0.0372 0.5355 1
Brugia malayi Cytochrome P450 family protein 0.0232 0.3136 0.3136
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3861 0.8931
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0124 0.1422 0.2656
Loa Loa (eye worm) hypothetical protein 0.0067 0.0511 0.0511
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.011 0.1201 0.2551
Onchocerca volvulus 0.0057 0.0358 0.1715
Loa Loa (eye worm) acetylcholine receptor protein 0.0057 0.0358 0.0358
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0124 0.1422 0.2656
Loa Loa (eye worm) hypothetical protein 0.0043 0.0138 0.0138
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.011 0.1201 0.3547
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.011 0.1201 0.2344
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0138 0.0257
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.011 0.1201 0.2551
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0138 0.0439
Loa Loa (eye worm) beta-lactamase 0.0043 0.0138 0.0138
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0067 0.0511 0.0954
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0067 0.0511 0.0511
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0124 0.1422 0.2656
Loa Loa (eye worm) hypothetical protein 0.0067 0.0511 0.0511
Schistosoma mansoni hypothetical protein 0.0205 0.2699 0.504
Loa Loa (eye worm) hypothetical protein 0.0057 0.0358 0.0358
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0124 0.1422 0.1422
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.011 0.1201 0.2344
Brugia malayi beta-lactamase family protein 0.0043 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0124 0.1422 0.1422
Loa Loa (eye worm) hypothetical protein 0.0057 0.0358 0.0358
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0124 0.1422 0.2656
Echinococcus granulosus glycine receptor subunit alpha 1 0.0124 0.1422 0.2656
Schistosoma mansoni neurotransmitter gated ion channel 0.0057 0.0358 0.0669
Brugia malayi Cation transporter family protein 0.0124 0.1422 0.1422
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0124 0.1422 0.2656
Loa Loa (eye worm) hypothetical protein 0.0122 0.1382 0.1382
Loa Loa (eye worm) hypothetical protein 0.0057 0.0358 0.0358
Schistosoma mansoni nAChR subunit 0.0124 0.1422 0.2656
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0057 0.0358 0.0669
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.011 0.1201 0.2551
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.011 0.1201 0.2551
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0124 0.1422 0.1422
Brugia malayi beta-lactamase 0.0043 0.0138 0.0138
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0057 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.0067 0.0511 0.0511
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0124 0.1422 0.1422
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.011 0.1201 0.2344
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.011 0.1201 0.2344
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.011 0.1201 0.2344
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0057 0.0358 0.0358
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0057 0.0358 0.0669
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0124 0.1422 0.2656
Onchocerca volvulus 0.0124 0.1422 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0124 0.1422 0.1422
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.1422 0.1422
Loa Loa (eye worm) hypothetical protein 0.0057 0.0358 0.0358

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1158 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 11.5821 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) 14.7157 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 Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 79.4328 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) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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