Detailed information for compound 1380763

Basic information

Technical information
  • TDR Targets ID: 1380763
  • Name: (3aS,5aS,6Z,8R,9S,9aS,9bS)-8,9-dihydroxy-6-(2 -methylpropoxyimino)-2-[3-(phenoxy)phenyl]-4, 5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoind ole-1,3-dione
  • MW: 492.563 | Formula: C28H32N2O6
  • H donors: 2 H acceptors: 4 LogP: 3.21 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CO/N=C\1/C[C@@H](O)[C@H]([C@H]2[C@@H]1CC[C@H]1[C@H]2C(=O)N(C1=O)c1cccc(c1)Oc1ccccc1)O)C
  • InChi: 1S/C28H32N2O6/c1-16(2)15-35-29-22-14-23(31)26(32)24-20(22)11-12-21-25(24)28(34)30(27(21)33)17-7-6-10-19(13-17)36-18-8-4-3-5-9-18/h3-10,13,16,20-21,23-26,31-32H,11-12,14-15H2,1-2H3/b29-22-/t20-,21+,23-,24+,25-,26-/m1/s1
  • InChiKey: SZZJXBASWOBABK-OMJRKORBSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (3aS,5aS,6Z,8R,9S,9aS,9bS)-8,9-dihydroxy-6-isobutoxyimino-2-[3-(phenoxy)phenyl]-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione
  • (3aS,5aS,6Z,8R,9S,9aS,9bS)-8,9-dihydroxy-6-isobutoxyimino-2-[3-(phenoxy)phenyl]-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-quinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni GTP-binding protein alpha subunit 0.0053 0.0198 0.0272
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0053 0.0198 0.1169
Leishmania major hypothetical protein, conserved 0.0107 0.0518 1
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0053 0.0198 0.0272
Loa Loa (eye worm) hypothetical protein 0.0052 0.0188 0.0188
Brugia malayi hypothetical protein 0.0107 0.0518 0.0518
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0053 0.0198 0.1169
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0065 0.009
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0225 0.122 1
Brugia malayi Trypsin family protein 0.0023 0.0017 0.0017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1242 0.728 1
Echinococcus granulosus expressed protein 0.0053 0.0198 0.0272
Mycobacterium ulcerans hypothetical protein 0.0023 0.0017 0.0221
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0326 0.182 0.182
Brugia malayi MH1 domain containing protein 0.0064 0.0262 0.0262
Echinococcus granulosus mothers against decapentaplegic 6 0.0052 0.0188 0.0259
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0053 0.0198 0.0272
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0326 0.182 0.2501
Toxoplasma gondii PAN domain-containing protein 0.0067 0.0276 0.0433
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0326 0.182 0.2501
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0015 0.0299
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0062 0.0248 0.4623
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0031 0.0063 0.1222
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0015 0.0127
Brugia malayi PAN domain containing protein 0.0067 0.0276 0.0276
Onchocerca volvulus 0.0067 0.0276 0.1221
Plasmodium falciparum cysteine repeat modular protein 1 0.0062 0.0248 0.4623
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0015 0.0091
Loa Loa (eye worm) G protein alpha subunit 3 0.0053 0.0198 0.0198
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0023 0.0017 0.0023
Schistosoma mansoni hypothetical protein 0.0326 0.182 0.2501
Echinococcus granulosus GPCR family 2 0.0326 0.182 0.2501
Entamoeba histolytica G protein alpha subunit, putative 0.0053 0.0198 0.1169
Echinococcus multilocularis transmembrane protease serine 3 0.0023 0.0017 0.0023
Echinococcus granulosus TGF beta signal transducer SmadC 0.0116 0.057 0.0783
Mycobacterium tuberculosis Probable reductase 0.0202 0.1085 0.8898
Brugia malayi MH1 domain containing protein 0.0064 0.0262 0.0262
Plasmodium falciparum ataxin-2 like protein, putative 0.0107 0.0518 1
Brugia malayi PAN domain containing protein 0.0067 0.0276 0.0276
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0116 0.057 0.0783
Schistosoma mansoni hypothetical protein 0.0062 0.0248 0.034
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0225 0.122 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0065 0.009
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0031 0.0063 0.1222
Loa Loa (eye worm) hypothetical protein 0.0023 0.0017 0.0017
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.1242 0.728 0.728
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0023 0.0017 0.0023
Loa Loa (eye worm) hypothetical protein 0.0053 0.0198 0.0198
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0015 0.0299
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 0.1694 1
Plasmodium vivax SET domain protein, putative 0.0031 0.0065 0.0996
Loa Loa (eye worm) hypothetical protein 0.0128 0.0641 0.0641
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0031 0.0063 0.0087
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0248 0.4784
Loa Loa (eye worm) latrophilin receptor protein 2 0.0326 0.182 0.182
Schistosoma mansoni tar DNA-binding protein 0.0324 0.1811 0.2488
Plasmodium falciparum thioredoxin reductase 0.0031 0.0063 0.0951
Loa Loa (eye worm) hypothetical protein 0.0053 0.0198 0.0198
Echinococcus granulosus tissue type plasminogen activator 0.0062 0.0248 0.034
Echinococcus granulosus tar DNA binding protein 0.0324 0.1811 0.2488
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0031 0.0063 0.0951
Brugia malayi PAN domain containing protein 0.0067 0.0276 0.0276
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0015 0.0091
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0053 0.0198 0.0272
Leishmania major trypanothione reductase 0.0089 0.0408 0.7887
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0053 0.0198 0.0198
Toxoplasma gondii thioredoxin reductase 0.0089 0.0408 0.0653
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0149 0.0766 1
Loa Loa (eye worm) PAN domain-containing protein 0.0067 0.0276 0.0276
Schistosoma mansoni hypothetical protein 0.0023 0.0017 0.0023
Schistosoma mansoni Smad4 0.0116 0.057 0.0783
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0065 0.009
Schistosoma mansoni smad 0.0116 0.057 0.0783
Schistosoma mansoni hypothetical protein 0.0326 0.182 0.2501
Toxoplasma gondii subtilisin SUB12 0.0067 0.0276 0.0433
Onchocerca volvulus 0.0053 0.0198 0.0853
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0015 0.0021
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0063 0.1222
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0053 0.0198 0.0198
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0031 0.0063 0.1222
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0017 0.0023
Schistosoma mansoni smad1 5 8 and 0.0116 0.057 0.0783
Loa Loa (eye worm) hypothetical protein 0.0023 0.0017 0.0017
Mycobacterium tuberculosis Probable dehydrogenase 0.0202 0.1085 0.8898
Plasmodium falciparum ataxin-2 like protein, putative 0.0107 0.0518 1
Brugia malayi hypothetical protein 0.0053 0.0198 0.0198
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0017 0.0023
Loa Loa (eye worm) hypothetical protein 0.0023 0.0017 0.0017
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0053 0.0198 0.0272
Trichomonas vaginalis mercuric reductase, putative 0.0031 0.0063 0.0373
Toxoplasma gondii microneme protein MIC17B 0.0067 0.0276 0.0433
Brugia malayi Cytochrome P450 family protein 0.0032 0.0068 0.0068
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1242 0.728 1
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0053 0.0198 0.0272
Treponema pallidum fructose-bisphosphate aldolase 0.0305 0.1694 1
Brugia malayi glutathione reductase 0.0089 0.0408 0.0408
Schistosoma mansoni ap endonuclease 0.0023 0.0015 0.0021
Loa Loa (eye worm) MH1 domain-containing protein 0.0052 0.0188 0.0188
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0015 0.0299
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.1242 0.728 0.728
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0053 0.0198 0.1169
Onchocerca volvulus 0.0067 0.0276 0.1221
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0015 0.0091
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0017 0.0023
Loa Loa (eye worm) hypothetical protein 0.0031 0.0065 0.0065
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 0.1694 1
Schistosoma mansoni hypothetical protein 0.0326 0.182 0.2501
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.0063 0.1222
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0053 0.0198 0.0198
Brugia malayi PAN domain containing protein 0.0067 0.0276 0.0276
Loa Loa (eye worm) PAN domain-containing protein 0.0067 0.0276 0.0276
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0053 0.0198 0.0272
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1242 0.728 1
Toxoplasma gondii PAN domain-containing protein 0.0067 0.0276 0.0433
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0089 0.0408 0.3349
Brugia malayi PAN domain containing protein 0.0067 0.0276 0.0276
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0017 0.0023
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0202 0.1085 0.8898
Toxoplasma gondii PAN domain-containing protein 0.0067 0.0276 0.0433
Loa Loa (eye worm) hypothetical protein 0.0067 0.0276 0.0276
Plasmodium falciparum thioredoxin reductase 0.0089 0.0408 0.7822
Schistosoma mansoni tar DNA-binding protein 0.0324 0.1811 0.2488
Loa Loa (eye worm) TK/ROR protein kinase 0.0062 0.0248 0.0248
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0063 0.1222
Onchocerca volvulus Huntingtin homolog 0.0128 0.0641 0.2937
Schistosoma mansoni hypothetical protein 0.0048 0.0166 0.0228
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0305 0.1694 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0031 0.0063 0.1222
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0023 0.0015 0.0015
Plasmodium vivax glutathione reductase, putative 0.0089 0.0408 0.7822
Schistosoma mansoni Smad4 0.0052 0.0188 0.0259
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0053 0.0198 0.0272
Loa Loa (eye worm) hypothetical protein 0.038 0.2141 0.2141
Onchocerca volvulus 0.0067 0.0276 0.1221
Schistosoma mansoni tar DNA-binding protein 0.0324 0.1811 0.2488
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0031 0.0063 0.0087
Leishmania major hypothetical protein, conserved 0.0062 0.0248 0.4784
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0053 0.0198 0.0198
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0063 0.1222
Brugia malayi latrophilin 2 splice variant baaae 0.0704 0.4072 0.4072
Echinococcus multilocularis enteropeptidase 0.0023 0.0017 0.0023
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0023 0.0017 0.0023
Schistosoma mansoni smad 0.0052 0.0188 0.0259
Onchocerca volvulus 0.0067 0.0276 0.1221
Loa Loa (eye worm) hypothetical protein 0.0064 0.0262 0.0262
Brugia malayi N-terminal motif family protein 0.038 0.2141 0.2141
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.057 0.057
Toxoplasma gondii PAN domain-containing protein 0.0067 0.0276 0.0433
Brugia malayi hypothetical protein 0.0128 0.0641 0.0641
Brugia malayi G-protein alpha subunit 0.0053 0.0198 0.0198
Plasmodium vivax ataxin-2 like protein, putative 0.0107 0.0518 1
Onchocerca volvulus 0.0067 0.0276 0.1221
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0053 0.0198 0.1169
Echinococcus granulosus mothers against decapentaplegic 2 0.0052 0.0188 0.0259
Echinococcus multilocularis GPCR, family 2 0.0326 0.182 0.2501
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0067 0.0276 0.0433
Trichomonas vaginalis set domain proteins, putative 0.0247 0.135 0.7971
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 0.1694 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.0063 0.1222
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0053 0.0198 0.0272
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0305 0.1694 1
Brugia malayi Thioredoxin reductase 0.0089 0.0408 0.0408
Onchocerca volvulus 0.0067 0.0276 0.1221
Schistosoma mansoni Smad4 0.0052 0.0188 0.0259
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0031 0.0063 0.0087
Loa Loa (eye worm) transcription factor SMAD2 0.1699 1 1
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0053 0.0198 0.1169
Onchocerca volvulus 0.0053 0.0198 0.0853
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0048 0.0166 0.0228
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0065 0.009
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0015 0.0015
Plasmodium vivax thioredoxin reductase, putative 0.0089 0.0408 0.7822
Loa Loa (eye worm) glutathione reductase 0.0089 0.0408 0.0408
Brugia malayi Calcitonin receptor-like protein seb-1 0.103 0.6012 0.6012
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0023 0.0017 0.0017
Echinococcus multilocularis thioredoxin glutathione reductase 0.0089 0.0412 0.0565
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0023 0.0017 0.0023
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 0.1694 1
Loa Loa (eye worm) hypothetical protein 0.0326 0.182 0.182
Loa Loa (eye worm) hypothetical protein 0.0053 0.0198 0.0198
Echinococcus granulosus Mastin 0.0023 0.0017 0.0023
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0202 0.1085 0.7034
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0023 0.0017 0.0023
Loa Loa (eye worm) hypothetical protein 0.0067 0.0276 0.0276
Echinococcus multilocularis Smad4 0.0116 0.057 0.0783
Schistosoma mansoni hypothetical protein 0.0704 0.4072 0.5594
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0053 0.0198 0.0198
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0053 0.0198 0.0272
Plasmodium falciparum glutathione reductase 0.0031 0.0063 0.0951
Echinococcus multilocularis glycoprotein Antigen 5 0.0023 0.0017 0.0023
Brugia malayi RNA recognition motif domain containing protein 0.0324 0.1811 0.1811
Loa Loa (eye worm) hypothetical protein 0.0023 0.0017 0.0017
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0326 0.182 0.2501
Toxoplasma gondii microneme protein MIC17C 0.0067 0.0276 0.0433
Onchocerca volvulus 0.0067 0.0276 0.1221
Echinococcus multilocularis tar DNA binding protein 0.0324 0.1811 0.2488
Loa Loa (eye worm) Smad1 0.0116 0.057 0.057
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0031 0.0063 0.5
Brugia malayi PAN domain containing protein 0.0067 0.0276 0.0276
Loa Loa (eye worm) PAN domain-containing protein 0.0067 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.103 0.6012 0.6012
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0065 0.009
Echinococcus granulosus glycoprotein Antigen 5 0.0023 0.0017 0.0023
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0053 0.0198 0.0272
Schistosoma mansoni hypothetical protein 0.0326 0.182 0.2501
Brugia malayi MH1 domain containing protein 0.0116 0.057 0.057
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0023 0.0017 0.0023
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0052 0.0188 0.0808
Brugia malayi MH2 domain containing protein 0.0052 0.0188 0.0188
Loa Loa (eye worm) hypothetical protein 0.0062 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.0704 0.4072 0.4072
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0053 0.0198 0.0198
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0023 0.0017 0.0023
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0031 0.0063 0.0951
Brugia malayi Pre-SET motif family protein 0.0031 0.0065 0.0065
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1242 0.728 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0017 0.0017
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0053 0.0198 0.0198
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0015 0.0021
Toxoplasma gondii PAN domain-containing protein 0.1033 0.6034 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0031 0.0063 0.0826
Schistosoma mansoni ap endonuclease 0.0023 0.0015 0.0021
Echinococcus granulosus thioredoxin glutathione reductase 0.0089 0.0412 0.0565
Loa Loa (eye worm) thioredoxin reductase 0.0089 0.0408 0.0408
Toxoplasma gondii microneme protein, putative 0.0067 0.0276 0.0433
Brugia malayi mothers against decapentaplegic homolog 3 0.0052 0.0188 0.0188
Brugia malayi PAN domain containing protein 0.0067 0.0276 0.0276
Onchocerca volvulus 0.0062 0.0248 0.1087
Onchocerca volvulus Huntingtin homolog 0.0128 0.0641 0.2937
Echinococcus multilocularis tissue type plasminogen activator 0.0062 0.0248 0.034
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0225 0.122 1
Trichomonas vaginalis glutathione reductase, putative 0.0031 0.0063 0.0373
Brugia malayi Protein kinase domain containing protein 0.0062 0.0248 0.0248
Loa Loa (eye worm) trypsin family protein 0.0023 0.0017 0.0017
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0017 0.0023
Trypanosoma cruzi trypanothione reductase, putative 0.0031 0.0063 0.1222
Echinococcus granulosus smad 0.0116 0.057 0.0783
Loa Loa (eye worm) PAN domain-containing protein 0.0067 0.0276 0.0276
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0063 0.1222
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1242 0.728 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0023 0.0017 0.0023
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0053 0.0198 0.1169
Echinococcus granulosus Smad4 0.0116 0.057 0.0783
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0053 0.0198 0.0272
Loa Loa (eye worm) hypothetical protein 0.0053 0.0198 0.0198
Onchocerca volvulus 0.0031 0.0065 0.0229
Brugia malayi Trypsin family protein 0.0023 0.0017 0.0017
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0015 0.0299
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0031 0.0063 0.0079
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0053 0.0198 0.0198
Onchocerca volvulus 0.0067 0.0276 0.1221
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0063 0.1222
Brugia malayi PAN domain containing protein 0.0067 0.0276 0.0276
Toxoplasma gondii PAN domain-containing protein 0.1033 0.6034 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0065 0.009
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0053 0.0198 0.0272
Onchocerca volvulus 0.0247 0.135 0.6279
Schistosoma mansoni smad1 5 8 and 0.0116 0.057 0.0783
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0023 0.0017 0.0023
Giardia lamblia NADH oxidase lateral transfer candidate 0.0031 0.0063 0.0373
Loa Loa (eye worm) hypothetical protein 0.0067 0.0276 0.0276
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0053 0.0198 0.0272
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0031 0.0063 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0017 0.0023
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0023 0.0017 0.0023
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0031 0.0063 0.0063
Loa Loa (eye worm) MH2 domain-containing protein 0.0052 0.0188 0.0188
Onchocerca volvulus 0.0067 0.0276 0.1221
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 0.1694 1
Schistosoma mansoni tar DNA-binding protein 0.0324 0.1811 0.2488
Loa Loa (eye worm) hypothetical protein 0.0067 0.0276 0.0276
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0067 0.0276 0.0276
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0031 0.0063 0.0951
Loa Loa (eye worm) MH2 domain-containing protein 0.1699 1 1
Brugia malayi hypothetical protein 0.0069 0.0292 0.0292
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0015 0.0202
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0031 0.0063 0.0826
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0202 0.1085 0.8898
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0031 0.0063 0.0826
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0015 0.0091
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0059 0.0081
Brugia malayi Trypsin-like protease protein 5 0.0023 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0067 0.0276 0.0276
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0063 0.1222
Loa Loa (eye worm) hypothetical protein 0.0023 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0023 0.0017 0.0017
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0023 0.0017 0.0023
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0031 0.0063 0.0519
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0053 0.0198 0.0198
Loa Loa (eye worm) TAR-binding protein 0.0324 0.1811 0.1811
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0063 0.1222
Brugia malayi Trypsin family protein 0.0023 0.0017 0.0017
Mycobacterium tuberculosis Probable oxidoreductase 0.0225 0.122 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0107 0.0518 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0031 0.0063 1
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0053 0.0198 0.0272
Brugia malayi Smad1 0.0116 0.057 0.057
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.1172 0.1172
Schistosoma mansoni smad1 5 8 and 0.0116 0.057 0.0783
Schistosoma mansoni GTP-binding protein alpha subunit 0.0053 0.0198 0.0272
Brugia malayi MH1 domain containing protein 0.0116 0.057 0.057
Brugia malayi Latrophilin receptor protein 2 0.0326 0.182 0.182
Brugia malayi RNA binding protein 0.0324 0.1811 0.1811
Treponema pallidum NADH oxidase 0.0031 0.0063 0.0285
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0202 0.1085 0.8898
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0053 0.0198 0.0198
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0023 0.0015 0.0015
Brugia malayi MH2 domain containing protein 0.0116 0.057 0.057
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.038 0.2141 1
Onchocerca volvulus 0.0067 0.0276 0.1221
Echinococcus granulosus transmembrane protease serine 3 0.0023 0.0017 0.0023
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0017 0.0023
Onchocerca volvulus 0.0067 0.0276 0.1221
Toxoplasma gondii PAN/Apple domain-containing protein 0.0067 0.0276 0.0433
Echinococcus multilocularis Mastin 0.0023 0.0017 0.0023
Brugia malayi Kringle domain containing protein 0.0062 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.0053 0.0198 0.0198
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.103 0.6012 0.6012
Brugia malayi PAN domain containing protein 0.0067 0.0276 0.0276
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 0.1694 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1242 0.728 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0276 0.0276
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0031 0.0063 0.0951
Toxoplasma gondii hypothetical protein 0.0067 0.0276 0.0433
Trypanosoma brucei PAB1-binding protein , putative 0.0107 0.0518 1
Toxoplasma gondii microneme protein MIC17A 0.0067 0.0276 0.0433
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0053 0.0198 0.0198
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0116 0.057 0.0783
Trypanosoma cruzi PAB1-binding protein , putative 0.0107 0.0518 1
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0053 0.0198 0.0272
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0324 0.1811 0.1811
Schistosoma mansoni tar DNA-binding protein 0.0324 0.1811 0.2488
Brugia malayi PAN domain containing protein 0.0067 0.0276 0.0276
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0053 0.0198 0.0198
Plasmodium falciparum glutathione reductase 0.0089 0.0408 0.7822
Brugia malayi hypothetical protein 0.0023 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0107 0.0518 0.0518
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0031 0.0063 0.1222
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0017 0.0023
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0017 0.0023
Echinococcus multilocularis smad 0.0116 0.057 0.0783
Toxoplasma gondii hypothetical protein 0.0067 0.0276 0.0433
Loa Loa (eye worm) RNA binding protein 0.0324 0.1811 0.1811
Brugia malayi MH2 domain containing protein 0.0116 0.057 0.057
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0023 0.0017 0.0023
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0053 0.0198 0.1169
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0053 0.0198 0.0272
Echinococcus multilocularis mothers against decapentaplegic 2 0.0052 0.0188 0.0259
Onchocerca volvulus 0.0053 0.0198 0.0853
Toxoplasma gondii LsmAD domain-containing protein 0.0107 0.0518 0.0835
Trypanosoma brucei trypanothione reductase 0.0089 0.0408 0.7887
Loa Loa (eye worm) nuclear factor I 0.0064 0.0262 0.0262
Loa Loa (eye worm) pigment dispersing factor receptor c 0.103 0.6012 0.6012
Toxoplasma gondii NADPH-glutathione reductase 0.0031 0.0063 0.0079
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0053 0.0198 0.0272
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0326 0.182 0.2501
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0053 0.0198 0.1169
Echinococcus granulosus enteropeptidase 0.0023 0.0017 0.0023
Brugia malayi TAR-binding protein 0.0324 0.1811 0.1811
Echinococcus granulosus mothers against decapentaplegic 5 0.0116 0.057 0.0783
Loa Loa (eye worm) MH1 domain-containing protein 0.0116 0.057 0.057
Loa Loa (eye worm) hypothetical protein 0.0128 0.0641 0.0641
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0065 0.0083
Toxoplasma gondii kringle domain-containing protein 0.0062 0.0248 0.0386
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 0.1694 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0202 0.1085 0.8898
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0053 0.0198 0.0272
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0015 0.0015
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1242 0.728 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0031 0.0063 0.1222
Schistosoma mansoni hypothetical protein 0.0023 0.0017 0.0023
Echinococcus multilocularis mothers against decapentaplegic 5 0.0116 0.057 0.0783
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0017 0.0023
Loa Loa (eye worm) PAN domain-containing protein 0.0067 0.0276 0.0276
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0063 0.1222
Brugia malayi Pre-SET motif family protein 0.0217 0.1172 0.1172
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0065 0.009
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0017 0.0023
Echinococcus multilocularis mothers against decapentaplegic 6 0.0052 0.0188 0.0259
Brugia malayi Trypsin family protein 0.0023 0.0017 0.0017
Toxoplasma gondii microneme protein MIC4 0.0067 0.0276 0.0433
Trypanosoma cruzi trypanothione reductase, putative 0.0089 0.0408 0.7887
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0053 0.0198 0.0198
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0048 0.0166 0.0228
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0053 0.0198 0.0272
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0053 0.0198 0.0272
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0149 0.0766 0.6283
Echinococcus multilocularis expressed protein 0.0053 0.0198 0.0272
Giardia lamblia Fructose-bisphosphate aldolase 0.0305 0.1694 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0305 0.1694 1
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0053 0.0198 0.0272

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 5.011872336 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (ADMET) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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