Detailed information for compound 372020

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 619.97 | Formula: C38H65N7
  • H donors: 1 H acceptors: 0 LogP: 8.13 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCC[C@@H]1CN(C(=N)N1CC(c1ccc(cc1)CC(C)C)C)[C@@H](CN1CCCC1CN1[C@@H](C)CN=C1N)CC1CCCCC1
  • InChi: 1S/C38H65N7/c1-6-7-14-35-27-45(38(40)44(35)24-29(4)33-18-16-32(17-19-33)21-28(2)3)36(22-31-12-9-8-10-13-31)25-42-20-11-15-34(42)26-43-30(5)23-41-37(43)39/h16-19,28-31,34-36,40H,6-15,20-27H2,1-5H3,(H2,39,41)/t29?,30-,34?,35+,36+/m0/s1
  • InChiKey: PCZSVFBZRZHCRO-JYSJLQRHSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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) trypsin family protein 0.0113 0.0334 0.0334
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0052 0.0117 0.0117
Echinococcus granulosus endoplasmin 0.0031 0.0045 0.0037
Echinococcus granulosus enteropeptidase 0.0113 0.0334 0.0326
Entamoeba histolytica heat shock protein 90, putative 0.0033 0.0052 1
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Leishmania major dihydrofolate reductase-thymidylate synthase 0.2321 0.8136 1
Brugia malayi Furin-like cysteine rich region family protein 0.0708 0.2436 0.2429
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0052 0.0116 0.0073
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0031 0.0045 0.0001
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0052 0.0116 0.0108
Loa Loa (eye worm) hypothetical protein 0.0052 0.0116 0.0116
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0086 0.0077
Plasmodium falciparum heat shock protein 90 0.0033 0.0052 0.0061
Mycobacterium tuberculosis Conserved protein 0.0052 0.0116 0.0073
Echinococcus multilocularis endoplasmin 0.0031 0.0045 0.0037
Echinococcus granulosus heat shock protein 90 0.0033 0.0052 0.0044
Leishmania major basic transcription factor 3a, putative 0.0025 0.0021 0.001
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0108 0.0317 0.0309
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0086 0.0077
Echinococcus granulosus tissue type plasminogen activator 0.0812 0.2802 0.2796
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0086 0.0077
Brugia malayi thymidylate synthase 0.0525 0.1788 0.1782
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Trypanosoma brucei heat shock protein, putative 0.0033 0.0052 0.0054
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0112 0.033 0.0322
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0224 0.0726 0.0726
Brugia malayi jmjC domain containing protein 0.0043 0.0086 0.0077
Entamoeba histolytica hypothetical protein 0.0025 0.0021 0.2148
Schistosoma mansoni hypothetical protein 0.0224 0.0726 0.0719
Mycobacterium ulcerans lipase LipD 0.0052 0.0116 0.0073
Mycobacterium tuberculosis Hypothetical protein 0.025 0.0816 0.0776
Trypanosoma brucei heat shock protein, putative 0.0033 0.0052 0.0054
Loa Loa (eye worm) hypothetical protein 0.0045 0.0092 0.0092
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0102 0.0294 0.0252
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.025 0.0816 0.099
Toxoplasma gondii IMP dehydrogenas 0.0108 0.0317 0.038
Brugia malayi Protein kinase domain containing protein 0.1556 0.5433 0.543
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0031 0.0044 0.0112
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Loa Loa (eye worm) hypothetical protein 0.0113 0.0334 0.0334
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0043 0.0086 0.0077
Mycobacterium ulcerans hypothetical protein 0.0052 0.0116 0.0073
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0051 0.0116 0.0116
Plasmodium vivax endoplasmin, putative 0.0033 0.0052 0.0054
Echinococcus multilocularis microtubule associated protein 2 0.0503 0.171 0.1703
Schistosoma mansoni tyrosine kinase 0.0708 0.2436 0.2429
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0812 0.2802 0.3438
Echinococcus granulosus heat shock protein 0.0033 0.0052 0.0044
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0033 0.0052 0.0044
Loa Loa (eye worm) hypothetical protein 0.0118 0.0352 0.0352
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0373 0.1254 0.1254
Trichomonas vaginalis heat shock protein, putative 0.0029 0.0035 0.0397
Brugia malayi RNA binding protein 0.0045 0.0092 0.0083
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Loa Loa (eye worm) hypothetical protein 0.0848 0.2932 0.2932
Brugia malayi MH2 domain containing protein 0.0084 0.0231 0.0223
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0033 0.0052 0.0044
Loa Loa (eye worm) hypothetical protein 0.0113 0.0334 0.0334
Onchocerca volvulus 0.0113 0.0334 0.1153
Schistosoma mansoni hypothetical protein 0.0812 0.2802 0.2796
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0108 0.0317 0.0375
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0033 0.0052 0.0044
Trypanosoma brucei heat shock protein 84, putative 0.0022 0.0013 0.0005
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0112 0.033 0.033
Mycobacterium ulcerans thymidylate synthase 0.0525 0.1788 0.1752
Onchocerca volvulus 0.0052 0.0116 0.0372
Onchocerca volvulus 0.0052 0.0116 0.0372
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0112 0.033 0.0287
Loa Loa (eye worm) hypothetical protein 0.0052 0.0116 0.0116
Trypanosoma cruzi GMP reductase 0.0108 0.0317 0.0375
Toxoplasma gondii heat shock protein HSP90 0.0033 0.0052 0.0054
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Loa Loa (eye worm) TK/INSR protein kinase 0.1556 0.5433 0.5433
Echinococcus multilocularis Mastin 0.0113 0.0334 0.0326
Plasmodium falciparum heat shock protein 90, putative 0.0126 0.0381 0.0465
Schistosoma mansoni tar DNA-binding protein 0.0045 0.0092 0.0083
Echinococcus multilocularis beta LACTamase domain containing family member 0.0052 0.0116 0.0108
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0022 0.0013 0.0004
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0525 0.1788 0.1788
Loa Loa (eye worm) ICD-1 protein 0.0025 0.0021 0.0021
Schistosoma mansoni thyroid hormone receptor 0.0103 0.0297 0.0289
Toxoplasma gondii hypothetical protein 0.0039 0.007 0.0076
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Schistosoma mansoni tyrosine kinase 0.0695 0.2391 0.2385
Trypanosoma cruzi heat shock protein 90, putative 0.0033 0.0052 0.0049
Loa Loa (eye worm) hypothetical protein 0.0113 0.0334 0.0334
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0043 0.0086 0.0077
Mycobacterium tuberculosis Probable lipase LipE 0.0052 0.0116 0.0073
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0048 0.0105 0.1251
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.2849 1 1
Echinococcus granulosus glycoprotein Antigen 5 0.0113 0.0334 0.0326
Trichomonas vaginalis D-aminoacylase, putative 0.0052 0.0116 0.1396
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0039 0.007 0.0898
Brugia malayi beta-lactamase 0.0052 0.0116 0.0108
Echinococcus granulosus insulin receptor 0.1556 0.5433 0.543
Trypanosoma cruzi Heat shock protein 83, putative 0.0033 0.0052 0.0049
Plasmodium falciparum endoplasmin, putative 0.0024 0.002 0.0021
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Trichomonas vaginalis D-aminoacylase, putative 0.0052 0.0116 0.1396
Echinococcus multilocularis glycoprotein Antigen 5 0.0113 0.0334 0.0326
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0086 0.0086
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0102 0.0294 0.0352
Trypanosoma cruzi heat shock protein 85, putative 0.0033 0.0052 0.0049
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0113 0.0334 0.0326
Loa Loa (eye worm) MH2 domain-containing protein 0.0084 0.0231 0.0231
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0112 0.033 0.0287
Echinococcus granulosus geminin 0.0119 0.0355 0.0347
Trypanosoma brucei heat shock protein, putative 0.0033 0.0052 0.0054
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0052 0.0116 0.0073
Echinococcus granulosus cytochrome c oxidase subunit II 0.0103 0.0297 0.0289
Loa Loa (eye worm) GMP reductase 0.0045 0.0093 0.0093
Echinococcus multilocularis tar DNA binding protein 0.0045 0.0092 0.0083
Loa Loa (eye worm) hypothetical protein 0.0812 0.2802 0.2802
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0108 0.0317 0.9555
Echinococcus granulosus GPCR family 2 0.0118 0.0352 0.0344
Echinococcus multilocularis thymidylate synthase 0.0525 0.1788 0.1782
Trypanosoma cruzi transcription factor btf3, putative 0.0025 0.0021 0.001
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0052 0.0116 0.0073
Brugia malayi Latrophilin receptor protein 2 0.0118 0.0352 0.0344
Echinococcus granulosus transcription factor btf3 0.0025 0.0021 0.0013
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0108 0.0317 0.0317
Schistosoma mansoni tar DNA-binding protein 0.0045 0.0092 0.0083
Schistosoma mansoni hypothetical protein 0.0118 0.0352 0.0344
Echinococcus granulosus tar DNA binding protein 0.0045 0.0092 0.0083
Brugia malayi Protein kinase domain containing protein 0.0861 0.2976 0.297
Echinococcus granulosus snurportin 1 0.0224 0.0726 0.0719
Onchocerca volvulus 0.0113 0.0334 0.1153
Plasmodium vivax hypothetical protein, conserved 0.0052 0.0116 0.0133
Schistosoma mansoni microtubule-associated protein tau 0.0503 0.171 0.1703
Trypanosoma brucei heat shock protein, putative 0.0033 0.0052 0.0054
Mycobacterium tuberculosis Conserved protein 0.0052 0.0116 0.0073
Loa Loa (eye worm) endoplasmin 0.0033 0.0052 0.0052
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0113 0.0334 0.0326
Giardia lamblia Heat shock protein HSP 90-alpha 0.0033 0.0052 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.2321 0.8136 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0033 0.0052 0.0044
Mycobacterium ulcerans esterase/lipase LipP 0.0052 0.0116 0.0073
Mycobacterium tuberculosis Probable hydrolase 0.0052 0.0116 0.0073
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0113 0.0334 0.0326
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0052 0.0116 0.0116
Plasmodium vivax cytochrome c oxidase subunit 2, putative 0.0031 0.0044 0.0044
Loa Loa (eye worm) TK/EGFR protein kinase 0.0708 0.2436 0.2436
Brugia malayi Trypsin-like protease protein 5 0.0113 0.0334 0.0326
Schistosoma mansoni hypothetical protein 0.0255 0.0836 0.0829
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0108 0.0317 0.0375
Toxoplasma gondii kringle domain-containing protein 0.0812 0.2802 0.3438
Schistosoma mansoni tyrosine kinase 0.1556 0.5433 0.543
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Brugia malayi Hsp90 protein 0.0022 0.0013 0.0004
Brugia malayi heat shock protein 90 0.0033 0.0052 0.0044
Trypanosoma brucei heat shock protein, putative 0.0033 0.0052 0.0054
Brugia malayi latrophilin 2 splice variant baaae 0.0255 0.0836 0.0829
Loa Loa (eye worm) IMP dehydrogenase 1 0.0108 0.0317 0.0317
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0108 0.0317 0.0309
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0033 0.0052 0.0044
Trypanosoma brucei heat shock protein, putative 0.0033 0.0052 0.0054
Echinococcus multilocularis dihydrofolate reductase 0.2849 1 1
Onchocerca volvulus 0.0113 0.0334 0.1153
Brugia malayi hypothetical protein 0.025 0.0816 0.0809
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0039 0.007 0.0076
Trypanosoma brucei heat shock protein 90, putative 0.0033 0.0052 0.0054
Schistosoma mansoni tyrosine kinase 0.0708 0.2436 0.2429
Trypanosoma brucei transcription factor BTF3, putative 0.0025 0.0021 0.0016
Loa Loa (eye worm) TAR-binding protein 0.0045 0.0092 0.0092
Trichomonas vaginalis D-aminoacylase, putative 0.0052 0.0116 0.1396
Entamoeba histolytica transcription factor BTF3, putative 0.0025 0.0021 0.2148
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0052 0.0116 0.0073
Echinococcus granulosus thymidylate synthase 0.0525 0.1788 0.1782
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0118 0.0352 0.0344
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0021 0.0225
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0112 0.033 0.0402
Schistosoma mansoni tar DNA-binding protein 0.0045 0.0092 0.0083
Schistosoma mansoni tyrosine kinase 0.1556 0.5433 0.543
Leishmania major hypothetical protein, conserved 0.0812 0.2802 0.3434
Brugia malayi TAR-binding protein 0.0045 0.0092 0.0083
Echinococcus multilocularis 0.0203 0.0653 0.0645
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0031 0.0045 0.004
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0108 0.0317 0.038
Schistosoma mansoni heat shock protein 0.0033 0.0052 0.0044
Schistosoma mansoni tyrosine kinase 0.0695 0.2391 0.2385
Brugia malayi GMP reductase 0.0045 0.0093 0.0085
Trichomonas vaginalis heat shock protein, putative 0.0033 0.0052 0.0607
Trypanosoma brucei GMP reductase 0.0108 0.0317 0.038
Mycobacterium ulcerans beta-lactamase 0.0052 0.0116 0.0073
Brugia malayi jmjC domain containing protein 0.0043 0.0086 0.0077
Loa Loa (eye worm) hypothetical protein 0.0052 0.0116 0.0116
Loa Loa (eye worm) thymidylate synthase 0.0525 0.1788 0.1788
Loa Loa (eye worm) hypothetical protein 0.0113 0.0334 0.0334
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.2849 1 1
Schistosoma mansoni hypothetical protein 0.0119 0.0355 0.0347
Trypanosoma brucei hypothetical protein, conserved 0.0052 0.0116 0.0133
Brugia malayi Protein kinase domain containing protein 0.0824 0.2847 0.2841
Brugia malayi Endoplasmin precursor 0.0033 0.0052 0.0044
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0057 0.0135 0.0092
Echinococcus multilocularis heat shock protein 90 0.0029 0.0035 0.0027
Loa Loa (eye worm) hypothetical protein 0.0112 0.033 0.033
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Toxoplasma gondii ABC1 family protein 0.0052 0.0116 0.0133
Schistosoma mansoni heat shock protein 0.0022 0.0013 0.0004
Brugia malayi RNA recognition motif domain containing protein 0.0045 0.0092 0.0083
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0052 0.0117 0.0108
Loa Loa (eye worm) hypothetical protein 0.0052 0.0116 0.0116
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0072 0.0187 0.022
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0052 0.0117 0.0108
Brugia malayi Trypsin family protein 0.0113 0.0334 0.0326
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Brugia malayi beta-lactamase family protein 0.0052 0.0116 0.0108
Loa Loa (eye worm) dihydrofolate reductase 0.2849 1 1
Echinococcus granulosus peptidase Clp S14 family 0.0073 0.0193 0.0185
Onchocerca volvulus 0.0812 0.2802 1
Echinococcus multilocularis heat shock protein 90 0.0033 0.0052 0.0044
Echinococcus granulosus transmembrane protease serine 3 0.0113 0.0334 0.0326
Schistosoma mansoni hypothetical protein 0.0118 0.0352 0.0344
Brugia malayi hypothetical protein 0.0113 0.0334 0.0326
Echinococcus multilocularis epidermal growth factor receptor 0.0708 0.2436 0.2429
Loa Loa (eye worm) RNA binding protein 0.0045 0.0092 0.0092
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0021 0.0225
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0708 0.2436 0.2429
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0048 0.0105 0.1251
Schistosoma mansoni heat shock protein 0.0033 0.0052 0.0044
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0033 0.0052 0.0044
Loa Loa (eye worm) hypothetical protein 0.0052 0.0116 0.0116
Plasmodium vivax heat shock protein, putative 0.0126 0.0381 0.0459
Loa Loa (eye worm) hypothetical protein 0.0052 0.0116 0.0116
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0039 0.007 0.0083
Schistosoma mansoni hypothetical protein 0.0113 0.0334 0.0326
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0112 0.033 0.0395
Echinococcus multilocularis peptidase Clp (S14 family) 0.0073 0.0193 0.0185
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.2849 1 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0108 0.0317 0.0375
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0088 0.0247 0.0239
Onchocerca volvulus Putative GMP reductase 0.0045 0.0093 0.0289
Onchocerca volvulus 0.0031 0.0044 0.0112
Loa Loa (eye worm) hypothetical protein 0.0021 0.0008 0.0008
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0052 0.0116 0.0108
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0118 0.0352 0.0344
Loa Loa (eye worm) TK/ROR protein kinase 0.0824 0.2847 0.2847
Brugia malayi beta-NAC-like protein 0.0025 0.0021 0.0013
Onchocerca volvulus 0.0113 0.0334 0.1153
Trichomonas vaginalis penicillin-binding protein, putative 0.0052 0.0116 0.1396
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0031 0.0045 0.0045
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Onchocerca volvulus 0.0113 0.0334 0.1153
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0033 0.0052 0.0052
Trypanosoma cruzi GMP reductase 0.0108 0.0317 0.0375
Trichomonas vaginalis endoplasmin, putative 0.0024 0.002 0.0209
Echinococcus granulosus beta LACTamase domain containing family member 0.0052 0.0116 0.0108
Echinococcus multilocularis transcription factor btf3 0.0025 0.0021 0.0013
Entamoeba histolytica heat shock protein 90, putative 0.0033 0.0052 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0113 0.0334 0.0326
Schistosoma mansoni endoplasmin 0.0033 0.0052 0.0044
Schistosoma mansoni cytochrome-c oxidase 0.0031 0.0044 0.0035
Echinococcus granulosus heat shock protein 90 0.0029 0.0035 0.0027
Onchocerca volvulus 0.0052 0.0116 0.0372
Toxoplasma gondii cytochrome C oxidase subunit IIb, putative 0.0031 0.0044 0.0044
Onchocerca volvulus 0.0525 0.1788 0.6366
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0112 0.033 1
Onchocerca volvulus 0.0113 0.0334 0.1153
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0045 0.0093 0.0085
Echinococcus multilocularis heat shock protein 0.0033 0.0052 0.0044
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0329 0.1098 0.1058
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0073 0.0193 0.0193
Leishmania major guanosine monophosphate reductase 0.0108 0.0317 0.0375
Trypanosoma cruzi heat shock protein 85, putative 0.0029 0.0035 0.0028
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Echinococcus multilocularis insulin receptor 0.1556 0.5433 0.543
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.2321 0.8136 1
Trypanosoma cruzi heat shock protein 85, putative 0.0033 0.0052 0.0049
Trypanosoma brucei heat shock protein, putative 0.0033 0.0052 0.0054
Schistosoma mansoni voltage-gated potassium channel 0.0056 0.0133 0.0125
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0052 0.0116 0.0108
Leishmania major hypothetical protein, conserved 0.0052 0.0116 0.0128
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0022 0.0013 0.0004
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Leishmania major inosine-5-monophosphate dehydrogenase 0.0108 0.0317 0.0375
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0112 0.033 0.0322
Loa Loa (eye worm) hypothetical protein 0.0113 0.0334 0.0334
Loa Loa (eye worm) hypothetical protein 0.1415 0.4933 0.4933
Loa Loa (eye worm) heat shock protein 90 0.0033 0.0052 0.0052
Schistosoma mansoni cytochrome c oxidase subunit II 0.0084 0.0231 0.0223
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.2321 0.8136 1
Loa Loa (eye worm) heat shock protein 75 0.0022 0.0013 0.0013
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0073 0.0193 0.015
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0057 0.0135 0.0135
Loa Loa (eye worm) transcription factor SMAD2 0.0084 0.0231 0.0231
Plasmodium falciparum cytochrome c oxidase subunit 2, putative 0.0031 0.0044 0.0051
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0113 0.0334 0.0326
Echinococcus multilocularis GPCR, family 2 0.0118 0.0352 0.0344
Brugia malayi RNA, U transporter 1 0.006 0.0145 0.0137
Brugia malayi Trypsin family protein 0.0113 0.0334 0.0326
Trichomonas vaginalis esterase, putative 0.0052 0.0116 0.1396
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0113 0.0334 0.0326
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0073 0.0193 0.015
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0051 0.0116 0.0072
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.1556 0.5433 0.543
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0108 0.0317 0.0274
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0033 0.0052 0.0044
Echinococcus granulosus dihydrofolate reductase 0.2849 1 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.0334 0.0334
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0118 0.0352 0.0344
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0088 0.0247 0.0239
Loa Loa (eye worm) latrophilin receptor protein 2 0.0118 0.0352 0.0352
Mycobacterium ulcerans hypothetical protein 0.0113 0.0334 0.0292
Chlamydia trachomatis dihydrofolate reductase 0.2849 1 1
Mycobacterium ulcerans heat shock protein 90 0.0031 0.0045 0.0001
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0031 0.0044 0.0112
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0108 0.0317 0.0309
Schistosoma mansoni hypothetical protein 0.0118 0.0352 0.0344
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0525 0.1788 0.1782
Plasmodium vivax heat shock protein 90, putative 0.0022 0.0013 0.0005
Schistosoma mansoni jumonji domain containing protein 0.0043 0.0086 0.0077
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0525 0.1788 0.1752
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0113 0.0334 0.0326
Brugia malayi Dihydrofolate reductase 0.2849 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.2321 0.8136 1
Schistosoma mansoni transcription factor btf3 0.0025 0.0021 0.0013
Trypanosoma brucei Heat shock protein 83, putative 0.0033 0.0052 0.0054
Mycobacterium leprae conserved hypothetical protein 0.0052 0.0116 0.0116
Schistosoma mansoni hypothetical protein 0.0119 0.0355 0.0347
Schistosoma mansoni tyrosine kinase 0.0695 0.2391 0.2385
Toxoplasma gondii heat shock protein 90, putative 0.0033 0.0052 0.0054
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1415 0.4933 0.4929
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0113 0.0334 0.0326
Trichomonas vaginalis heat shock protein, putative 0.0024 0.002 0.0209
Schistosoma mansoni tyrosine kinase 0.0708 0.2436 0.2429
Toxoplasma gondii Hsp90 domain-containing protein 0.0126 0.0381 0.0459
Echinococcus multilocularis tissue type plasminogen activator 0.0812 0.2802 0.2796
Echinococcus granulosus Mastin 0.0113 0.0334 0.0326
Plasmodium vivax heat shock protein 86, putative 0.0033 0.0052 0.0054
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0.0116 0.0128
Schistosoma mansoni tar DNA-binding protein 0.0045 0.0092 0.0083
Mycobacterium tuberculosis Probable lipase LipD 0.0052 0.0116 0.0073
Toxoplasma gondii NAC domain-containing protein 0.0025 0.0021 0.0016
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0031 0.0044 0.0112
Trypanosoma cruzi transcription factor btf3, putative 0.0025 0.0021 0.001
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0045 0.0093 0.0085
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0033 0.0052 0.0044
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0102 0.0294 0.0358
Brugia malayi Trypsin family protein 0.0113 0.0334 0.0326
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0021 0.0225
Schistosoma mansoni tar DNA-binding protein 0.0045 0.0092 0.0083
Giardia lamblia Grp94/Hsp90 0.0031 0.0045 0.5748
Plasmodium falciparum importin beta, putative 0.0021 0.0008 0.0007
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0086 0.0077
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0039 0.007 0.007
Trypanosoma cruzi hypothetical protein, conserved 0.0812 0.2802 0.3434
Trypanosoma cruzi heat shock protein 90, putative 0.0029 0.0035 0.0028
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0108 0.0317 0.0274
Echinococcus multilocularis enteropeptidase 0.0113 0.0334 0.0326
Echinococcus multilocularis thyroid hormone receptor alpha 0.0103 0.0297 0.0289
Loa Loa (eye worm) beta-lactamase 0.0052 0.0116 0.0116
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0045 0.0518
Schistosoma mansoni dihydrofolate reductase 0.2849 1 1
Trichomonas vaginalis conserved hypothetical protein 0.025 0.0816 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0112 0.033 0.0395
Schistosoma mansoni hypothetical protein 0.0088 0.0247 0.0239
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0112 0.033 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0373 0.1254 0.1247
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0045 0.0092 0.0092
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0031 0.0044 0.0112
Echinococcus granulosus epidermal growth factor receptor 0.0708 0.2436 0.2429
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0113 0.0334 0.0326
Trypanosoma cruzi heat shock protein 85, putative 0.0033 0.0052 0.0049
Plasmodium falciparum basic transcription factor 3b, putative 0.0025 0.0021 0.0022
Trypanosoma brucei heat shock protein 90, putative 0.0033 0.0052 0.0054
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Echinococcus granulosus microtubule associated protein 2 0.0503 0.171 0.1703
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Plasmodium falciparum cysteine repeat modular protein 1 0.0812 0.2802 0.3442
Wolbachia endosymbiont of Brugia malayi cytochrome c oxidase, subunit 2 0.0103 0.0297 0.8851
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0113 0.0334 0.0326
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.2321 0.8136 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0113 0.0334 0.0326
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0112 0.033 0.0395
Brugia malayi beta-lactamase family protein 0.0052 0.0116 0.0108
Trypanosoma brucei heat shock protein, putative 0.0033 0.0052 0.0054
Brugia malayi Trypsin family protein 0.0113 0.0334 0.0326
Plasmodium vivax basic transcription factor 3b, putative 0.0025 0.0021 0.0016
Schistosoma mansoni thyroid hormone receptor 0.0103 0.0297 0.0289
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0113 0.0334 0.0326
Echinococcus multilocularis snurportin 1 0.0224 0.0726 0.0719
Loa Loa (eye worm) hypothetical protein 0.0113 0.0334 0.0334
Echinococcus granulosus insulin growth factor 1 receptor beta 0.1556 0.5433 0.543
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0.0116 0.0128
Mycobacterium leprae Probable lipase LipE 0.0052 0.0116 0.0116
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.1159 0.4031 0.4026
Echinococcus granulosus epidermal growth factor receptor 0.0708 0.2436 0.2429
Echinococcus multilocularis transmembrane protease serine 3 0.0113 0.0334 0.0326
Brugia malayi Kringle domain containing protein 0.0812 0.2802 0.2796
Brugia malayi Probable ClpP-like protease 0.0112 0.033 0.0322
Loa Loa (eye worm) hypothetical protein 0.0255 0.0836 0.0836
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0113 0.0334 0.0326
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.1159 0.4031 0.4026
Echinococcus multilocularis geminin 0.0119 0.0355 0.0347
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0052 0.0117 0.0108
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Mycobacterium tuberculosis Probable esterase LipL 0.0052 0.0116 0.0073
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0029 0.0035 0.0027
Schistosoma mansoni hypothetical protein 0.0118 0.0352 0.0344
Schistosoma mansoni voltage-gated potassium channel 0.0056 0.0133 0.0125
Mycobacterium tuberculosis Conserved protein 0.0052 0.0116 0.0073
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0108 0.0317 0.0309
Toxoplasma gondii heat shock protein 75, putative 0.0022 0.0013 0.0005
Schistosoma mansoni peptidase Clp (S14 family) 0.0112 0.033 0.0322
Trichomonas vaginalis penicillin-binding protein, putative 0.0052 0.0116 0.1396
Echinococcus multilocularis epidermal growth factor receptor 0.0708 0.2436 0.2429
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Schistosoma mansoni endoplasmin 0.0033 0.0052 0.0044
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0045 0.0518
Schistosoma mansoni hypothetical protein 0.0113 0.0334 0.0326
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326

Activities

Activity type Activity value Assay description Source Reference
MBC (functional) = 2.5 ug ml-1 Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC 33591 ChEMBL. 16890437
MBC (functional) > 10 ug ml-1 Antibacterial activity against vancomycin-resistant Enterococcus faecalis ATCC 51299 ChEMBL. 16890437
MBC (functional) > 10 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 ChEMBL. 16890437
MBC (functional) > 10 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 ChEMBL. 16890437
MIC (functional) < 2.5 ug ml-1 Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC 33591 ChEMBL. 16890437
MIC (functional) < 2.5 ug ml-1 Antibacterial activity against vancomycin-resistant Enterococcus faecalis ATCC 51299 ChEMBL. 16890437
MIC (functional) > 10 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 ChEMBL. 16890437
MIC (functional) > 10 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 ChEMBL. 16890437

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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