Detailed information for compound 1173562

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 556.68 | Formula: C26H36N8O4S
  • H donors: 5 H acceptors: 4 LogP: 0.26 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: NC(=N)NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N)NS(=O)(=O)Cc1ccccc1
  • InChi: 1S/C26H36N8O4S/c27-23(28)20-12-10-18(11-13-20)16-32-24(35)22-9-5-15-34(22)25(36)21(8-4-14-31-26(29)30)33-39(37,38)17-19-6-2-1-3-7-19/h1-3,6-7,10-13,21-22,33H,4-5,8-9,14-17H2,(H3,27,28)(H,32,35)(H4,29,30,31)/t21-,22+/m1/s1
  • InChiKey: QKFCYPKTTJCUSZ-YADHBBJMSA-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 coagulation factor II (thrombin) Starlite/ChEMBL References
Homo sapiens transmembrane protease, serine 2 Starlite/ChEMBL References
Homo sapiens suppression of tumorigenicity 14 (colon carcinoma) Starlite/ChEMBL References
Homo sapiens kallikrein B, plasma (Fletcher factor) 1 Starlite/ChEMBL References
Homo sapiens transmembrane protease, serine 11D Starlite/ChEMBL References
Homo sapiens transmembrane protease, serine 6 Starlite/ChEMBL References
Homo sapiens plasminogen Starlite/ChEMBL References
Homo sapiens coagulation factor X Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_134971 All targets in OG5_134971
Neospora caninum hypothetical protein Get druggable targets OG5_134971 All targets in OG5_134971
Toxoplasma gondii PAN domain-containing protein Get druggable targets OG5_134971 All targets in OG5_134971
Toxoplasma gondii PAN domain-containing protein Get druggable targets OG5_134971 All targets in OG5_134971
Neospora caninum hypothetical protein Get druggable targets OG5_134971 All targets in OG5_134971
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus Mastin transmembrane protease, serine 11D 418 aa 354 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0032 0.01 0.0297
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0031 0.0088 0.0303
Mycobacterium tuberculosis Conserved protein 0.0037 0.0148 0.0225
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0148 0.0225
Loa Loa (eye worm) RNA binding protein 0.0062 0.0405 0.0448
Brugia malayi MH2 domain containing protein 0.0115 0.0966 0.1092
Echinococcus granulosus SAM and MBT domain containing protein 0.0056 0.0342 0.1185
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0213 0.1983 0.8837
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0031 0.0088 0.0266
Schistosoma mansoni sex comb on midleg homolog 0.0056 0.0342 0.104
Toxoplasma gondii PAN domain-containing protein 0.0373 0.3658 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0344 0.1193
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0252 0.0273
Brugia malayi Bromodomain containing protein 0.0045 0.0228 0.0248
Schistosoma mansoni hypothetical protein 0.0048 0.0262 0.0797
Brugia malayi Bromodomain containing protein 0.0087 0.0673 0.0758
Loa Loa (eye worm) hypothetical protein 0.0056 0.0342 0.0376
Loa Loa (eye worm) hypothetical protein 0.0123 0.1043 0.1177
Onchocerca volvulus 0.0099 0.0797 0.076
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0036 0.0137 0.0416
Entamoeba histolytica hypothetical protein 0.0077 0.0562 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0182 0.0192
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.01 0.1362
Brugia malayi Kringle domain containing protein 0.0048 0.0262 0.0288
Loa Loa (eye worm) PAN domain-containing protein 0.004 0.0182 0.0192
Loa Loa (eye worm) DOMON domain-containing protein 0.0099 0.0797 0.0896
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0088 0.0266
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0032 0.01 0.1362
Brugia malayi Protein kinase domain containing protein 0.0048 0.0262 0.0288
Toxoplasma gondii ABC1 family protein 0.0037 0.0148 0.0258
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0252 0.0767
Toxoplasma gondii microneme protein MIC17C 0.004 0.0182 0.0351
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0124 0.1053 0.3207
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.01 0.1362
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.2882 0.3281
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0032 0.01 0.0661
Onchocerca volvulus 0.0099 0.0797 0.076
Schistosoma mansoni sex comb on midleg homolog 0.0056 0.0342 0.104
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0148 0.0148
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0026 0.0039 0.003
Brugia malayi Pre-SET motif family protein 0.0862 0.8757 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0088 0.0085
Onchocerca volvulus 0.0037 0.0148 0.0109
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0148 0.0148
Leishmania major hypothetical protein, conserved 0.0037 0.0148 0.2013
Toxoplasma gondii 1,3(4)-beta-glucanase 0.004 0.0182 0.0351
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0032 0.01 0.1362
Trichomonas vaginalis set domain proteins, putative 0.0981 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0405 0.1232
Trypanosoma cruzi trypanothione reductase, putative 0.0032 0.01 0.1362
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0055 0.0189
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.0344 0.1146
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0031 0.0088 0.0266
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0219 0.2045 0.7093
Brugia malayi mbt repeat family protein 0.0056 0.0342 0.0379
Onchocerca volvulus 0.004 0.0182 0.0143
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0124 0.1053 0.3652
Loa Loa (eye worm) hypothetical protein 0.0031 0.0088 0.0085
Schistosoma mansoni hypothetical protein 0.0099 0.0797 0.2426
Brugia malayi glutathione reductase 0.0093 0.0736 0.0829
Loa Loa (eye worm) hypothetical protein 0.0048 0.0262 0.0285
Schistosoma mansoni hypothetical protein 0.0164 0.1471 0.4479
Brugia malayi Muscle positioning protein 4 0.0105 0.0861 0.0972
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0032 0.01 0.0661
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.0323 0.1117
Onchocerca volvulus 0.0037 0.0148 0.0109
Brugia malayi SEA domain containing protein 0.0099 0.0797 0.0899
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0148 0.0931
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0405 0.1232
Brugia malayi hypothetical protein 0.0077 0.0562 0.0631
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0213 0.1983 0.881
Brugia malayi PAN domain containing protein 0.004 0.0182 0.0195
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.0562 0.1711
Loa Loa (eye worm) hypothetical protein 0.004 0.0182 0.0192
Onchocerca volvulus 0.0056 0.0342 0.0304
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0405 0.1403
Mycobacterium tuberculosis Conserved protein 0.0037 0.0148 0.0225
Trichomonas vaginalis esterase, putative 0.0037 0.0148 0.0148
Toxoplasma gondii hypothetical protein 0.004 0.0182 0.0351
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0032 0.01 0.5
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0032 0.01 0.0346
Toxoplasma gondii hypothetical protein 0.004 0.0182 0.0351
Loa Loa (eye worm) PAN domain-containing protein 0.004 0.0182 0.0192
Brugia malayi Trypsin family protein 0.0031 0.0088 0.0088
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0088 0.0266
Mycobacterium tuberculosis Probable dehydrogenase 0.0213 0.1983 0.8837
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.0323 0.1117
Loa Loa (eye worm) beta-lactamase 0.0037 0.0148 0.0154
Echinococcus granulosus tar DNA binding protein 0.0062 0.0405 0.1403
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0046 0.0245 0.0746
Loa Loa (eye worm) hypothetical protein 0.004 0.0182 0.0192
Trypanosoma cruzi trypanothione reductase, putative 0.0093 0.0736 1
Echinococcus multilocularis Mastin 0.0031 0.0088 0.0303
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0032 0.01 0.0297
Echinococcus multilocularis thioredoxin glutathione reductase 0.0093 0.0736 0.2553
Brugia malayi PAN domain containing protein 0.004 0.0182 0.0195
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0071 0.05 0.1877
Echinococcus multilocularis snurportin 1 0.0299 0.2882 1
Brugia malayi Cytochrome P450 family protein 0.003 0.0081 0.008
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0088 0.0266
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0148 0.2013
Echinococcus granulosus Mastin 0.0031 0.0088 0.0303
Brugia malayi PAN domain containing protein 0.004 0.0182 0.0195
Toxoplasma gondii PAN domain-containing protein 0.004 0.0182 0.0351
Brugia malayi Pre-SET motif family protein 0.0124 0.1053 0.1192
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0144 0.126 0.4371
Echinococcus multilocularis transmembrane protease serine 3 0.0031 0.0088 0.0303
Toxoplasma gondii PAN/Apple domain-containing protein 0.004 0.0182 0.0351
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.05 0.1522
Onchocerca volvulus 0.004 0.0182 0.0143
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0144 0.126 0.3837
Loa Loa (eye worm) hypothetical protein 0.0144 0.126 0.1426
Toxoplasma gondii microneme protein MIC4 0.004 0.0182 0.0351
Brugia malayi beta-lactamase 0.0037 0.0148 0.0157
Schistosoma mansoni hypothetical protein 0.0164 0.1471 0.4479
Loa Loa (eye worm) hypothetical protein 0.0047 0.0258 0.0279
Loa Loa (eye worm) TK/ROR protein kinase 0.0048 0.0262 0.0285
Schistosoma mansoni lipoxygenase 0.0054 0.0323 0.0981
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0088 0.0266
Loa Loa (eye worm) PAN domain-containing protein 0.004 0.0182 0.0192
Treponema pallidum NADH oxidase 0.0032 0.01 0.5
Brugia malayi TAR-binding protein 0.0062 0.0405 0.0451
Onchocerca volvulus 0.004 0.0182 0.0143
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0148 0.1459
Onchocerca volvulus 0.0031 0.0088 0.0049
Loa Loa (eye worm) PAN domain-containing protein 0.004 0.0182 0.0192
Loa Loa (eye worm) MBCTL1 0.0063 0.0422 0.0467
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0148 0.0148
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0148 0.0512
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0237 0.2231 1
Schistosoma mansoni importin beta-1 0.0028 0.0055 0.0166
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0093 0.0736 0.2985
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0148 0.0449
Trypanosoma brucei trypanothione reductase 0.0093 0.0736 1
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0.05 0.1235
Loa Loa (eye worm) hypothetical protein 0.0028 0.0055 0.0048
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0088 0.0266
Brugia malayi PHD-finger family protein 0.0029 0.0065 0.0062
Loa Loa (eye worm) hypothetical protein 0.0037 0.0148 0.0154
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0405 0.0451
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0148 0.0225
Plasmodium falciparum cysteine repeat modular protein 1 0.0048 0.0262 0.3042
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.01 0.1362
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0148 0.0225
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0252 0.0767
Brugia malayi Trypsin family protein 0.0031 0.0088 0.0088
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0032 0.01 0.1362
Plasmodium falciparum glutathione reductase 0.0032 0.01 0.0661
Onchocerca volvulus 0.0037 0.0148 0.0109
Brugia malayi RNA binding protein 0.0062 0.0405 0.0451
Toxoplasma gondii microneme protein MIC17A 0.004 0.0182 0.0351
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.0344 0.1047
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0148 0.0148
Brugia malayi RNA, U transporter 1 0.008 0.0594 0.0667
Loa Loa (eye worm) hypothetical protein 0.0063 0.0422 0.0467
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0088 0.0266
Brugia malayi hypothetical protein 0.0031 0.0088 0.0088
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.0344 0.0381
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0144 0.126 0.3837
Schistosoma mansoni bromodomain containing protein 0.0074 0.0531 0.1616
Entamoeba histolytica hypothetical protein 0.0077 0.0562 1
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0031 0.0088 0.0303
Onchocerca volvulus 0.0099 0.0797 0.076
Loa Loa (eye worm) trypsin family protein 0.0031 0.0088 0.0085
Brugia malayi PAN domain containing protein 0.004 0.0182 0.0195
Onchocerca volvulus 0.004 0.0182 0.0143
Onchocerca volvulus Huntingtin homolog 0.0123 0.1043 0.1008
Mycobacterium tuberculosis Probable reductase 0.0213 0.1983 0.8837
Onchocerca volvulus 0.004 0.0182 0.0143
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0032 0.01 0.0451
Onchocerca volvulus 0.0031 0.0088 0.0049
Brugia malayi PAN domain containing protein 0.004 0.0182 0.0195
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0119 0.1006 0.3488
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0219 0.2045 0.7093
Loa Loa (eye worm) hypothetical protein 0.0037 0.0148 0.0154
Loa Loa (eye worm) hypothetical protein 0.004 0.0182 0.0192
Loa Loa (eye worm) hypothetical protein 0.0031 0.0088 0.0085
Echinococcus granulosus tissue type plasminogen activator 0.0048 0.0262 0.0908
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0305 0.0334
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0344 0.6221
Schistosoma mansoni hypothetical protein 0.0337 0.3283 1
Onchocerca volvulus 0.0099 0.0797 0.076
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0344 0.6221
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0405 0.0448
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0252 0.0276
Onchocerca volvulus 0.0031 0.0088 0.0049
Leishmania major hypothetical protein, conserved 0.0048 0.0262 0.3564
Onchocerca volvulus Huntingtin homolog 0.0123 0.1043 0.1008
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0063 0.0422 0.1463
Echinococcus multilocularis geminin 0.0164 0.1471 0.5101
Plasmodium falciparum glutathione reductase 0.0093 0.0736 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.01 0.1362
Loa Loa (eye worm) hypothetical protein 0.0031 0.0088 0.0085
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0213 0.1983 0.8837
Loa Loa (eye worm) hypothetical protein 0.0026 0.0039 0.003
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0048 0.0262 0.2076
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.05 1
Toxoplasma gondii subtilisin SUB12 0.004 0.0182 0.0351
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0088 0.0266
Toxoplasma gondii microneme protein, putative 0.004 0.0182 0.0351
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0032 0.01 0.0661
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0088 0.0266
Plasmodium vivax glutathione reductase, putative 0.0093 0.0736 0.6824
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0037 0.0125
Giardia lamblia NADH oxidase lateral transfer candidate 0.0032 0.01 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0124 0.1053 0.2769
Toxoplasma gondii microneme protein MIC17B 0.004 0.0182 0.0351
Plasmodium falciparum thioredoxin reductase 0.0032 0.01 0.0661
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0405 0.1232
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0148 0.0449
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0063 0.0422 0.1463
Plasmodium falciparum thioredoxin reductase 0.0093 0.0736 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0071 0.05 0.1733
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.01 0.1362
Loa Loa (eye worm) thioredoxin reductase 0.0093 0.0736 0.0827
Trichomonas vaginalis glutathione reductase, putative 0.0032 0.01 0.01
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0031 0.0088 0.0266
Echinococcus granulosus enteropeptidase 0.0031 0.0088 0.0303
Brugia malayi Importin beta-1 subunit 0.0028 0.0055 0.0051
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0032 0.01 0.0102
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0344 0.1193
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0148 0.0148
Echinococcus granulosus glycoprotein Antigen 5 0.0031 0.0088 0.0303
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0031 0.0088 0.0303
Leishmania major trypanothione reductase 0.0093 0.0736 1
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0148 0.0225
Mycobacterium ulcerans lipase LipD 0.0037 0.0148 0.1459
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0032 0.01 0.0297
Onchocerca volvulus 0.004 0.0182 0.0143
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0056 0.0342 0.0304
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0252 0.0767
Mycobacterium tuberculosis Conserved protein 0.0037 0.0148 0.0225
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.0562 0.1949
Loa Loa (eye worm) hypothetical protein 0.0037 0.0148 0.0154
Onchocerca volvulus 0.0105 0.0861 0.0825
Plasmodium vivax thioredoxin reductase, putative 0.0093 0.0736 0.6824
Loa Loa (eye worm) hypothetical protein 0.0099 0.0797 0.0896
Loa Loa (eye worm) PAN domain-containing protein 0.004 0.0182 0.0192
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0031 0.0088 0.0266
Schistosoma mansoni hypothetical protein 0.0077 0.0562 0.1711
Echinococcus granulosus importin subunit beta 1 0.0028 0.0055 0.0189
Toxoplasma gondii PAN domain-containing protein 0.0373 0.3658 1
Mycobacterium ulcerans beta-lactamase 0.0037 0.0148 0.1459
Loa Loa (eye worm) hypothetical protein 0.0082 0.0621 0.0695
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.05 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0032 0.01 0.0125
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0032 0.01 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0182 0.0192
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0056 0.0342 0.104
Schistosoma mansoni myelin transcription factor 1 myt1 0.0063 0.0422 0.1284
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0148 0.0225
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0148 0.1365
Brugia malayi PAN domain containing protein 0.004 0.0182 0.0195
Loa Loa (eye worm) hypothetical protein 0.0037 0.0148 0.0154
Onchocerca volvulus 0.004 0.0182 0.0143
Brugia malayi Trypsin family protein 0.0031 0.0088 0.0088
Onchocerca volvulus 0.004 0.0182 0.0143
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0032 0.01 0.0451
Echinococcus granulosus histone lysine methyltransferase setb 0.0144 0.126 0.4371
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0148 0.1459
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0236 0.2224 0.9966
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.0562 0.1949
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0063 0.0422 0.047
Brugia malayi hypothetical protein 0.0123 0.1043 0.118
Loa Loa (eye worm) hypothetical protein 0.0123 0.1043 0.1177
Toxoplasma gondii PAN domain-containing protein 0.004 0.0182 0.0351
Echinococcus granulosus histone acetyltransferase MYST2 0.0063 0.0422 0.1463
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0405 0.0448
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0148 0.0154
Echinococcus multilocularis polycomb protein SCMH1 0.0056 0.0342 0.1185
Onchocerca volvulus 0.0124 0.1053 0.1018
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0148 0.0225
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0042 0.0199 0.0689
Schistosoma mansoni hypothetical protein 0.0031 0.0088 0.0266
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0032 0.01 0.1362
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0026 0.0039 0.0033
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0405 0.1232
Schistosoma mansoni hypothetical protein 0.0024 0.0014 0.0039
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.05 1
Plasmodium vivax SET domain protein, putative 0.0124 0.1053 1
Toxoplasma gondii kringle domain-containing protein 0.0048 0.0262 0.0575
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.05 0.1522
Onchocerca volvulus 0.0031 0.0088 0.0049
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0081 0.0077
Loa Loa (eye worm) hypothetical protein 0.0031 0.0088 0.0085
Brugia malayi PAN domain containing protein 0.004 0.0182 0.0195
Schistosoma mansoni hypothetical protein 0.0299 0.2882 0.878
Echinococcus multilocularis enteropeptidase 0.0031 0.0088 0.0303
Trichomonas vaginalis mercuric reductase, putative 0.0032 0.01 0.01
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0237 0.2231 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0042 0.0199 0.0689
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0148 0.0225
Echinococcus multilocularis SAM and MBT domain containing protein 0.0056 0.0342 0.1185
Echinococcus multilocularis tissue type plasminogen activator 0.0048 0.0262 0.0908
Echinococcus granulosus transmembrane protease serine 3 0.0031 0.0088 0.0303
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0405 0.1232
Onchocerca volvulus 0.004 0.0182 0.0143
Loa Loa (eye worm) hypothetical protein 0.0031 0.0089 0.0086
Echinococcus granulosus geminin 0.0164 0.1471 0.5101
Brugia malayi Trypsin-like protease protein 5 0.0031 0.0088 0.0088
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0148 0.0512
Brugia malayi beta-lactamase family protein 0.0037 0.0148 0.0157
Entamoeba histolytica hypothetical protein 0.0077 0.0562 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0148 0.0154
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0213 0.1983 0.8837
Loa Loa (eye worm) hypothetical protein 0.004 0.0182 0.0192
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0088 0.0266
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0252 0.0873
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0124 0.1053 0.3207
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0037 0.0125
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.0966 0.1089
Mycobacterium tuberculosis Probable oxidoreductase 0.0237 0.2231 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0252 0.0873
Echinococcus granulosus polycomb protein SCMH1 0.0056 0.0342 0.1185
Onchocerca volvulus 0.0031 0.0088 0.0049
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0071 0.05 0.6792
Loa Loa (eye worm) hypothetical protein 0.0105 0.0861 0.0969
Loa Loa (eye worm) mbt repeat family protein 0.0056 0.0342 0.0376
Onchocerca volvulus 0.0031 0.0088 0.0049
Loa Loa (eye worm) hypothetical protein 0.004 0.0182 0.0192
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0071 0.05 0.1733
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0088 0.0266
Loa Loa (eye worm) glutathione reductase 0.0093 0.0736 0.0827
Loa Loa (eye worm) hypothetical protein 0.0031 0.0088 0.0085
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0213 0.1983 0.8837
Echinococcus multilocularis glycoprotein Antigen 5 0.0031 0.0088 0.0303
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0148 0.2013
Loa Loa (eye worm) hypothetical protein 0.0037 0.0148 0.0154
Echinococcus granulosus thioredoxin glutathione reductase 0.0093 0.0736 0.2553
Loa Loa (eye worm) hypothetical protein 0.005 0.0281 0.0306
Brugia malayi beta-lactamase family protein 0.0037 0.0148 0.0157
Loa Loa (eye worm) hypothetical protein 0.0045 0.0229 0.0246
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.0966 0.1089
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0862 0.8757 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0032 0.01 0.1362
Onchocerca volvulus 0.0048 0.0262 0.0224
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0032 0.01 0.0661
Brugia malayi mbt repeat family protein 0.0056 0.0342 0.0379
Toxoplasma gondii thioredoxin reductase 0.0093 0.0736 0.189
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0032 0.01 0.0346
Mycobacterium ulcerans hypothetical protein 0.0037 0.0148 0.1459
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0237 0.2231 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.0344 0.4678
Schistosoma mansoni hypothetical protein 0.0031 0.0088 0.0266
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.0488 0.169
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0148 0.0157
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0252 0.0873
Schistosoma mansoni cercarial elastase (S01 family) 0.0031 0.0088 0.0266
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.01 0.1362
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0031 0.0088 0.0266
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0037 0.011
Toxoplasma gondii NADPH-glutathione reductase 0.0032 0.01 0.0125
Toxoplasma gondii PAN domain-containing protein 0.004 0.0182 0.0351
Onchocerca volvulus 0.004 0.0182 0.0143
Toxoplasma gondii PAN domain-containing protein 0.004 0.0182 0.0351
Echinococcus multilocularis histone acetyltransferase MYST2 0.0063 0.0422 0.1463
Loa Loa (eye worm) hypothetical protein 0.0031 0.0088 0.0085
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0032 0.01 0.0661
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0031 0.0088 0.0266
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0032 0.01 0.0661
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.0262 0.3564
Onchocerca volvulus 0.004 0.0182 0.0143
Brugia malayi Trypsin family protein 0.0031 0.0088 0.0088
Brugia malayi PAN domain containing protein 0.004 0.0182 0.0195
Entamoeba histolytica hypothetical protein 0.0077 0.0562 1
Brugia malayi PAN domain containing protein 0.004 0.0182 0.0195
Brugia malayi PAN domain containing protein 0.004 0.0182 0.0195
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0032 0.01 0.5
Brugia malayi Thioredoxin reductase 0.0093 0.0736 0.0829
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.0488 0.169
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0032 0.01 0.1362
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0031 0.0088 0.0088
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0031 0.0088 0.0303
Echinococcus granulosus snurportin 1 0.0299 0.2882 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0032 0.01 0.0304
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0252 0.0873

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2.4 nM Inhibition of factor 10a ChEMBL. 21741839
Ki (binding) = 3.5 nM Inhibition of thrombin ChEMBL. 21741839
Ki (binding) = 8.3 nM Inhibition of plasma kallikrein ChEMBL. 21741839
Ki (binding) = 19 nM Inhibition of human recombinant airway trypsin-like protease HAT using D-cyclohexylalanine-Pro-Arg-AMC as substrate by fluorescence plate reader analysis ChEMBL. 21741839
Ki (binding) = 20 nM Inhibition of recombinant catalytic domain of TMPRSS2 expressed in Escherichia coli using Dcyclohexylalanine- Pro-Arg-AMC as substrate by fluorescence plate reader analysis ChEMBL. 21741839
Ki (binding) = 39 nM Inhibition of plasmin ChEMBL. 21741839
Ki (binding) = 55 nM Inhibition of matriptase ChEMBL. 21741839
Ki (binding) = 170 nM Inhibition of matriptase 2 ChEMBL. 21741839

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.

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