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

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.