Detailed information for compound 1618994

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 354.512 | Formula: C20H26N4S
  • H donors: 2 H acceptors: 0 LogP: 3.92 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN[C@@H]1CC[C@H](CC1)N1CCc2c1cc(cc2)NC(=N)c1cccs1
  • InChi: 1S/C20H26N4S/c1-22-15-6-8-17(9-7-15)24-11-10-14-4-5-16(13-18(14)24)23-20(21)19-3-2-12-25-19/h2-5,12-13,15,17,22H,6-11H2,1H3,(H2,21,23)/t15-,17-
  • InChiKey: HGVUTNMCDMGTOE-JCNLHEQBSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nitric oxide synthase 1 (neuronal) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.038 0.1217 0.1377
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0465 0.1521 0.1733
Echinococcus granulosus methionine synthase reductase 0.0073 0.0123 0.0676
Trypanosoma cruzi oxidoreductase, putative 0.0094 0.0197 0.1457
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0153 0.0407 0.0275
Schistosoma mansoni hypothetical protein 0.016 0.0434 0.2675
Loa Loa (eye worm) acyl carrier protein 0.0153 0.0407 0.0461
Brugia malayi Phosphopantetheine attachment site family protein 0.0153 0.0407 0.0387
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0217 0.0636 0.513
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0094 0.0197 0.1457
Trichomonas vaginalis conserved hypothetical protein 0.0456 0.1488 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0073 0.0123 0.0139
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0976 0.334 0.4114
Loa Loa (eye worm) hypothetical protein 0.0109 0.0253 0.0286
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.038 0.1217 1
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0153 0.0407 0.0275
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0118 0.0284 0.2184
Brugia malayi flavodoxin family protein 0.0118 0.0284 0.0264
Mycobacterium ulcerans polyketide synthase Pks13 0.2237 0.7837 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0153 0.0407 1
Schistosoma mansoni cytochrome P450 reductase 0.0118 0.0284 0.1668
Schistosoma mansoni [ACP] S-malonyltransferase 0.0096 0.0203 0.1123
Loa Loa (eye worm) solute carrier family 6 member 4 0.0109 0.0253 0.0286
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.1582 0.5503 0.6945
Leishmania major hypothetical protein, conserved 0.0456 0.1488 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0094 0.0197 0.0177
Mycobacterium ulcerans thioesterase 0.1261 0.4359 0.5447
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.038 0.1217 0.2108
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.038 0.1217 0.1334
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0094 0.0197 0.1457
Brugia malayi flavodoxin family protein 0.0045 0.0024 0.0003
Schistosoma mansoni zinc binding dehydrogenase 0.0094 0.0197 0.1086
Loa Loa (eye worm) norepinephrine transporter 0.0109 0.0253 0.0286
Wolbachia endosymbiont of Brugia malayi acyl carrier protein 0.0153 0.0407 0.2059
Mycobacterium ulcerans polyketide synthase MbtD 0.0465 0.1521 0.1733
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0045 0.0024 0.0088
Leishmania major cytochrome P450 reductase, putative 0.0105 0.0236 0.1452
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.1488 0.5168 0.5158
Loa Loa (eye worm) serotonin transporter b 0.0109 0.0253 0.0286
Giardia lamblia Methyltransferase like 2 0.0456 0.1488 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.2237 0.7837 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0045 0.0024 0.0088
Mycobacterium tuberculosis Conserved protein 0.0456 0.1488 0.1689
Toxoplasma gondii type I fatty acid synthase, putative 0.1582 0.5503 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0045 0.0024 0.0088
Treponema pallidum sodium- and chloride- dependent transporter 0.0109 0.0253 0.5968
Loa Loa (eye worm) hypothetical protein 0.0094 0.0197 0.0223
Mycobacterium tuberculosis Polyketide synthase Pks2 0.1467 0.5093 0.6408
Leishmania major acyl carrier protein, putative 0.0153 0.0407 0.262
Toxoplasma gondii type I fatty acid synthase 0.0232 0.069 0.1138
Loa Loa (eye worm) acyl carrier protein 0.0696 0.2344 0.2652
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0118 0.0284 0.1021
Loa Loa (eye worm) hypothetical protein 0.0118 0.0284 0.0321
Loa Loa (eye worm) flavodoxin family protein 0.0045 0.0024 0.0027
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0118 0.0284 0.2184
Mycobacterium ulcerans Type I modular polyketide synthase 0.1488 0.5168 0.6507
Loa Loa (eye worm) raf kinase 0.0464 0.1517 0.1717
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0976 0.334 0.4114
Mycobacterium ulcerans Type I modular polyketide synthase 0.1488 0.5168 0.6507
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.038 0.1217 0.7949
Brugia malayi Methyltransferase-like protein 4 0.0456 0.1488 0.147
Leishmania major oxidoreductase, putative 0.0094 0.0197 0.1187
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0982 0.3363 0.6059
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0768 0.2599 1
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0153 0.0407 0.0223
Mycobacterium leprae Probable polyketide synthase Pks1 0.1582 0.5503 0.6945
Schistosoma mansoni alcohol dehydrogenase 0.0094 0.0197 0.1086
Plasmodium falciparum nitric oxide synthase, putative 0.0118 0.0284 0.2184
Plasmodium falciparum acyl carrier protein 0.0153 0.0407 0.3216
Mycobacterium ulcerans acyl-CoA synthetase 0.0153 0.0407 0.0275
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0861 0.293 0.3577
Schistosoma mansoni NADPH flavin oxidoreductase 0.006 0.0075 0.0263
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0118 0.0284 0.2184
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0094 0.0197 0.1457
Brugia malayi Raf kinase 0.045 0.1467 0.1449
Wolbachia endosymbiont of Brugia malayi ACP S-malonyltransferase 0.0096 0.0203 0.0053
Echinococcus multilocularis NADH dehydrogenase 0.0153 0.0407 0.1498
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0765 0.2589 0.4635
Echinococcus multilocularis raf serine:threonine protein kinase 0.0466 0.1525 0.5834
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0047 0.003 0.0009
Brugia malayi FAD binding domain containing protein 0.0073 0.0123 0.0102
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0118 0.0284 0.2184
Echinococcus multilocularis serotonin transporter 0.0109 0.0253 0.0898
Loa Loa (eye worm) hypothetical protein 0.0094 0.0197 0.0223
Mycobacterium ulcerans malonyl CoA-acyl carrier protein transacylase FabD 0.0096 0.0203 0.0007
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0153 0.0407 0.0275
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0153 0.0407 0.0275
Schistosoma mansoni methyltransferase-related 0.0456 0.1488 0.975
Trypanosoma brucei acyl transferase-like protein 0.0096 0.0203 0.1502
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0153 0.0407 0.0275
Onchocerca volvulus 0.2635 0.9254 0.9643
Mycobacterium tuberculosis Conserved hypothetical protein 0.0153 0.0407 0.0275
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0118 0.0284 0.1021
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0232 0.069 0.0645
Plasmodium vivax flavodoxin domain containing protein 0.0105 0.0236 0.1782
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.1193 0.4114 0.5126
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0153 0.0407 0.0275
Brugia malayi Alcohol dehydrogenase class III 0.0094 0.0197 0.0177
Trypanosoma cruzi acyl transferase-like protein, putative 0.0096 0.0203 0.1502
Echinococcus granulosus AMP dependent ligase 0.0153 0.0407 0.2568
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0118 0.0284 0.1779
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.038 0.1217 0.4638
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.1193 0.4114 0.5126
Schistosoma mansoni hypothetical protein 0.0153 0.0407 0.2495
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0073 0.0123 0.0585
Mycobacterium ulcerans acyl carrier protein 0.0153 0.0407 0.0275
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0094 0.0197 0.0232
Mycobacterium ulcerans polyketide synthase 0.1582 0.5503 0.6945
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.1193 0.4114 0.5126
Treponema pallidum acyl carrier protein 0.0153 0.0407 1
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 0.0232 0.069 0.0645
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0094 0.0197 0.0177
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.1488 0.5168 0.6507
Echinococcus granulosus geminin 0.016 0.0434 0.2746
Mycobacterium ulcerans acyl carrier protein 0.0153 0.0407 0.0275
Trypanosoma brucei oxidoreductase, putative 0.0094 0.0197 0.1457
Leishmania major quinone oxidoreductase, putative 0.0094 0.0197 0.1187
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0118 0.0284 0.1749
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0475 0.1557 0.178
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0118 0.0284 0.2184
Leishmania major p450 reductase, putative 0.0118 0.0284 0.1779
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0153 0.0407 0.0275
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.1467 0.5093 0.6408
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0475 0.1557 0.178
Plasmodium vivax acyl carrier protein, putative 0.0153 0.0407 0.3216
Echinococcus multilocularis AMP dependent ligase 0.0153 0.0407 0.1498
Onchocerca volvulus Fatty acid synthase homolog 0.2729 0.959 1
Plasmodium vivax malonyl CoA-acyl carrier protein transacylase precursor, putative 0.0096 0.0203 0.1502
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0094 0.0197 0.0223
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0153 0.0407 0.0275
Leishmania major oxidoreductase-like protein 0.0094 0.0197 0.1187
Trypanosoma cruzi oxidoreductase, putative 0.0094 0.0197 0.1457
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0153 0.0407 0.0275
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0118 0.0284 0.2184
Mycobacterium tuberculosis Hypothetical protein 0.0456 0.1488 0.1689
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.038 0.1217 0.1198
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.038 0.1217 0.1334
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0153 0.0407 0.0461
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.1488 0.5168 0.6507
Toxoplasma gondii acyl carrier protein ACP 0.0153 0.0407 0.0618
Leishmania major d-xylulose reductase, putative 0.0094 0.0197 0.1187
Brugia malayi Calcitonin receptor-like protein seb-1 0.0047 0.003 0.0009
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.038 0.1217 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.1488 0.5168 0.6507
Leishmania major nuclear receptor binding factor-like protein 0.0094 0.0197 0.1187
Trypanosoma brucei Trans-2-enoyl-ACP reductase 2, putative 0.0094 0.0197 0.1457
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.038 0.1217 1
Echinococcus granulosus NADH dehydrogenase 0.0153 0.0407 0.2568
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.038 0.1217 1
Echinococcus multilocularis Malonyl coenzyme A acyl carrier protein transacylase 0.0096 0.0203 0.0705
Onchocerca volvulus 0.0109 0.0253 0.0059
Schistosoma mansoni sodium/chloride dependent transporter 0.0109 0.0253 0.1457
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0153 0.0407 0.1498
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0094 0.0197 0.0177
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.1582 0.5503 0.6945
Echinococcus granulosus acyl carrier protein mitochondrial 0.0153 0.0407 0.2568
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0094 0.0197 0.1265
Toxoplasma gondii acyl transferase domain-containing protein 0.0096 0.0203 0.0242
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0105 0.0236 0.1527
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0094 0.0197 0.1457
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0094 0.0197 0.1457
Schistosoma mansoni [ACP] S-malonyltransferase 0.0096 0.0203 0.1123
Onchocerca volvulus 0.1414 0.4904 0.5011
Loa Loa (eye worm) hypothetical protein 0.0232 0.069 0.0781
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0612 0.2044 0.2418
Echinococcus granulosus Malonyl coenzyme A acyl carrier protein transacylase 0.0096 0.0203 0.1209
Mycobacterium ulcerans hypothetical protein 0.0153 0.0407 0.0275
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0153 0.0407 0.0387
Chlamydia trachomatis acyl carrier protein 0.0153 0.0407 0.2601
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0153 0.0407 0.0275
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.1582 0.5503 0.6945
Loa Loa (eye worm) hypothetical protein 0.0232 0.069 0.0781
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0153 0.0407 0.0387
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0495 0.1627 0.1871
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0153 0.0407 0.0275
Loa Loa (eye worm) hypothetical protein 0.0109 0.0253 0.0286
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0153 0.0407 0.0275
Leishmania major hypothetical protein, conserved 0.0096 0.0203 0.1224
Leishmania major zinc-binding dehydrogenase-like protein 0.0094 0.0197 0.1187
Brugia malayi AMP-binding enzyme family protein 0.1414 0.4904 0.4893
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0094 0.0197 0.0684
Trichomonas vaginalis sulfite reductase, putative 0.0118 0.0284 0.1852
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0047 0.003 0.0034
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0094 0.0197 0.453
Toxoplasma gondii quinone oxidoreductase, putative 0.0094 0.0197 0.0232
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0118 0.0284 0.0113
Mycobacterium tuberculosis Polyketide synthase Pks13 0.2237 0.7837 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0232 0.069 0.0645
Trypanosoma cruzi p450 reductase, putative 0.0118 0.0284 0.2184
Mycobacterium leprae Polyketide synthase Pks13 0.2237 0.7837 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.0197 0.0223
Onchocerca volvulus 0.0153 0.0407 0.0223
Loa Loa (eye worm) hypothetical protein 0.0096 0.0203 0.0229
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.1261 0.4359 0.5447
Entamoeba histolytica NADP-dependent alcohol dehydrogenase 0.0094 0.0197 0.453
Echinococcus granulosus serotonin transporter 0.0109 0.0253 0.154
Schistosoma mansoni serine/threonine protein kinase 0.0466 0.1525 1
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.1582 0.5503 0.6945
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 0.0034
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.1488 0.5168 0.6507
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.037 0.1181 0.1287
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.0153 0.0407 0.3216
Mycobacterium leprae conserved hypothetical protein 0.0153 0.0407 0.0275
Entamoeba histolytica acyl-CoA synthetase, putative 0.0153 0.0407 1
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0094 0.0197 0.1457
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.1582 0.5503 0.6945
Plasmodium vivax hypothetical protein, conserved 0.0217 0.0636 0.513
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0094 0.0197 0.1173
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0264 0.0805 0.0911
Mycobacterium tuberculosis Meromycolate extension acyl carrier protein AcpM 0.0153 0.0407 0.0275
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.0153 0.0407 0.0275
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.1087 0.3739 0.4635
Mycobacterium tuberculosis Acyl carrier protein (ACP) MbtL 0.0153 0.0407 0.0275
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0094 0.0197 0.1265
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0109 0.0253 0.0232
Echinococcus multilocularis methionine synthase reductase 0.0073 0.0123 0.0395
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0118 0.0284 0.2184
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.038 0.1217 1
Schistosoma mansoni acyl carrier protein 0.0153 0.0407 0.2495
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.038 0.1217 0.7929
Chlamydia trachomatis malonyl CoA-ACP transacylase 0.0096 0.0203 0.0732
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.038 0.1217 1
Brugia malayi ADP-specific Phosphofructokinase/Glucokinase conserved region family protein 0.0096 0.0203 0.0182
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.038 0.1217 1
Toxoplasma gondii type I fatty acid synthase, putative 0.1077 0.3703 0.6686
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.1582 0.5503 0.6945
Loa Loa (eye worm) fatty acid synthase 0.1494 0.5186 0.5869
Mycobacterium ulcerans polyketide synthase MbtC 0.038 0.1217 0.1334
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0094 0.0197 0.453
Mycobacterium ulcerans polyketide synthase Pks9 0.0976 0.334 0.4114
Mycobacterium ulcerans fatty acid synthase Fas 0.0475 0.1557 0.178
Mycobacterium tuberculosis Probable thioesterase TesA 0.1261 0.4359 0.5447
Loa Loa (eye worm) hypothetical protein 0.0823 0.2795 0.3163
Loa Loa (eye worm) hypothetical protein 0.0109 0.0253 0.0286
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.1488 0.5168 0.6507
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0021 0.0024
Trypanosoma cruzi oxidoreductase, putative 0.0094 0.0197 0.1457
Mycobacterium tuberculosis Polyketide synthase Pks12 0.1582 0.5503 0.6945
Loa Loa (eye worm) FAD binding domain-containing protein 0.0118 0.0284 0.0321
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.038 0.1217 0.8148
Schistosoma mansoni diflavin oxidoreductase 0.0059 0.0072 0.0241
Loa Loa (eye worm) hypothetical protein 0.2518 0.8837 1
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 0.0232 0.069 0.0645
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0118 0.0284 0.1749
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0109 0.0253 0.1457
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.1213 0.4185 0.522
Schistosoma mansoni hypothetical protein 0.016 0.0434 0.2675
Echinococcus multilocularis geminin 0.016 0.0434 0.1602
Mycobacterium tuberculosis Probable acyl carrier protein AcpA (ACP) 0.0153 0.0407 0.0275
Loa Loa (eye worm) AMP-binding enzyme family protein 0.1414 0.4904 0.5549
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0118 0.0284 0.2184
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0045 0.0024 0.0088
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0153 0.0407 0.3216
Plasmodium falciparum malonyl CoA-acyl carrier protein transacylase 0.0096 0.0203 0.1502
Schistosoma mansoni [ACP] S-malonyltransferase 0.0096 0.0203 0.1123
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.1414 0.4904 0.6161
Loa Loa (eye worm) hypothetical protein 0.0094 0.0197 0.0223
Trypanosoma brucei oxidoreductase, putative 0.0094 0.0197 0.1457
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 0.0232 0.069 0.0645
Mycobacterium ulcerans polyketide synthase 0.1488 0.5168 0.6507
Leishmania major NADP-dependent alcohol dehydrogenase, putative 0.0094 0.0197 0.1187
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.1488 0.5168 0.6507
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.1488 0.5168 0.6507
Echinococcus granulosus raf serine:threonine protein kinase 0.0466 0.1525 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0094 0.0197 0.1265
Brugia malayi AMP-binding enzyme family protein 0.0465 0.1521 0.1503
Mycobacterium ulcerans thioesterase TesA 0.1261 0.4359 0.5447
Trypanosoma cruzi acyl transferase-like protein 0.0096 0.0203 0.1502
Leishmania major zinc binding dehydrogenase-like protein 0.0094 0.0197 0.1187
Brugia malayi FAD binding domain containing protein 0.0118 0.0284 0.0264

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.12 uM Inhibition of human recombinant nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline incubated for 15 mins prior to substrate addition measured after 45 mins by liquid scintillation counting ChEMBL. 22175766
IC50 (binding) = 189 uM Inhibition of human recombinant iNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline incubated for 15 mins prior to substrate addition measured after 45 mins by liquid scintillation counting ChEMBL. 22175766
IC50 (binding) = 237 uM Inhibition of human recombinant eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline incubated for 15 mins prior to substrate addition measured after 45 mins by liquid scintillation counting ChEMBL. 22175766

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.