Detailed information for compound 372018

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 660.033 | Formula: C41H69N7
  • H donors: 1 H acceptors: 0 LogP: 9.43 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(Cc1ccc(cc1)C(CN1[C@H](CC2CCCCC2)CN(C1=N)[C@H](CN1CCCC1CN1[C@@H](C)CN=C1N)CC1CCCCC1)C)C
  • InChi: 1S/C41H69N7/c1-30(2)22-35-17-19-36(20-18-35)31(3)26-47-39(24-34-14-9-6-10-15-34)29-48(41(47)43)38(23-33-12-7-5-8-13-33)27-45-21-11-16-37(45)28-46-32(4)25-44-40(46)42/h17-20,30-34,37-39,43H,5-16,21-29H2,1-4H3,(H2,42,44)/t31?,32-,37?,38-,39+/m0/s1
  • InChiKey: NDUBWYXBWIDJEA-KGFFRWFSSA-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
Echinococcus multilocularis thyroid hormone receptor alpha 0.0103 0.0297 0.0289
Schistosoma mansoni thyroid hormone receptor 0.0103 0.0297 0.0289
Entamoeba histolytica heat shock protein 90, putative 0.0033 0.0052 1
Toxoplasma gondii kringle domain-containing protein 0.0812 0.2802 0.3438
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0052 0.0116 0.0108
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0052 0.0117 0.0108
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0052 0.0116 0.0116
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0112 0.033 0.0322
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0039 0.007 0.0083
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Onchocerca volvulus 0.0113 0.0334 0.1153
Schistosoma mansoni voltage-gated potassium channel 0.0056 0.0133 0.0125
Schistosoma mansoni tyrosine kinase 0.0695 0.2391 0.2385
Trichomonas vaginalis heat shock protein, putative 0.0033 0.0052 0.0607
Plasmodium falciparum basic transcription factor 3b, putative 0.0025 0.0021 0.0022
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0052 0.0116 0.0108
Echinococcus granulosus geminin 0.0119 0.0355 0.0347
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0102 0.0294 0.0352
Loa Loa (eye worm) hypothetical protein 0.1415 0.4933 0.4933
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0033 0.0052 0.0044
Loa Loa (eye worm) hypothetical protein 0.0113 0.0334 0.0334
Loa Loa (eye worm) hypothetical protein 0.0052 0.0116 0.0116
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0033 0.0052 0.0044
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Mycobacterium ulcerans thymidylate synthase 0.0525 0.1788 0.1752
Echinococcus granulosus heat shock protein 0.0033 0.0052 0.0044
Trypanosoma brucei heat shock protein 84, putative 0.0022 0.0013 0.0005
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0373 0.1254 0.1254
Onchocerca volvulus 0.0113 0.0334 0.1153
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0043 0.0086 0.0077
Trichomonas vaginalis D-aminoacylase, putative 0.0052 0.0116 0.1396
Echinococcus multilocularis tissue type plasminogen activator 0.0812 0.2802 0.2796
Trypanosoma brucei transcription factor BTF3, putative 0.0025 0.0021 0.0016
Schistosoma mansoni tyrosine kinase 0.1556 0.5433 0.543
Schistosoma mansoni tar DNA-binding protein 0.0045 0.0092 0.0083
Brugia malayi Probable ClpP-like protease 0.0112 0.033 0.0322
Loa Loa (eye worm) TAR-binding protein 0.0045 0.0092 0.0092
Onchocerca volvulus 0.0525 0.1788 0.6366
Plasmodium vivax hypothetical protein, conserved 0.0052 0.0116 0.0133
Brugia malayi Trypsin family protein 0.0113 0.0334 0.0326
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 dihydrofolate reductase DfrA 0.2849 1 1
Brugia malayi Protein kinase domain containing protein 0.1556 0.5433 0.543
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.2321 0.8136 1
Schistosoma mansoni hypothetical protein 0.0812 0.2802 0.2796
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0102 0.0294 0.0358
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0112 0.033 0.0322
Echinococcus multilocularis endoplasmin 0.0031 0.0045 0.0037
Onchocerca volvulus 0.0052 0.0116 0.0372
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0039 0.007 0.0076
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0045 0.0518
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0113 0.0334 0.0326
Trichomonas vaginalis D-aminoacylase, putative 0.0052 0.0116 0.1396
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0525 0.1788 0.1788
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0073 0.0193 0.0193
Entamoeba histolytica heat shock protein 90, putative 0.0033 0.0052 1
Mycobacterium tuberculosis Conserved protein 0.0052 0.0116 0.0073
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0045 0.0518
Plasmodium falciparum heat shock protein 90 0.0033 0.0052 0.0061
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0113 0.0334 0.0326
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0102 0.0294 0.0252
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Trypanosoma brucei heat shock protein, putative 0.0033 0.0052 0.0054
Brugia malayi jmjC domain containing protein 0.0043 0.0086 0.0077
Echinococcus multilocularis heat shock protein 0.0033 0.0052 0.0044
Loa Loa (eye worm) hypothetical protein 0.0255 0.0836 0.0836
Schistosoma mansoni hypothetical protein 0.0119 0.0355 0.0347
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Loa Loa (eye worm) hypothetical protein 0.0045 0.0092 0.0092
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0118 0.0352 0.0344
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0052 0.0116 0.0073
Toxoplasma gondii hypothetical protein 0.0039 0.007 0.0076
Echinococcus granulosus Mastin 0.0113 0.0334 0.0326
Trypanosoma cruzi hypothetical protein, conserved 0.0812 0.2802 0.3434
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
Giardia lamblia Heat shock protein HSP 90-alpha 0.0033 0.0052 1
Echinococcus granulosus glycoprotein Antigen 5 0.0113 0.0334 0.0326
Schistosoma mansoni tyrosine kinase 0.0708 0.2436 0.2429
Loa Loa (eye worm) beta-lactamase 0.0052 0.0116 0.0116
Loa Loa (eye worm) hypothetical protein 0.0113 0.0334 0.0334
Plasmodium vivax cytochrome c oxidase subunit 2, putative 0.0031 0.0044 0.0044
Trypanosoma cruzi heat shock protein 90, putative 0.0033 0.0052 0.0049
Entamoeba histolytica hypothetical protein 0.0025 0.0021 0.2148
Brugia malayi heat shock protein 90 0.0033 0.0052 0.0044
Mycobacterium ulcerans lipase LipD 0.0052 0.0116 0.0073
Loa Loa (eye worm) hypothetical protein 0.0112 0.033 0.033
Onchocerca volvulus 0.0812 0.2802 1
Toxoplasma gondii IMP dehydrogenas 0.0108 0.0317 0.038
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0052 0.0116 0.0073
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0033 0.0052 0.0044
Trypanosoma brucei heat shock protein, putative 0.0033 0.0052 0.0054
Echinococcus multilocularis insulin receptor 0.1556 0.5433 0.543
Onchocerca volvulus 0.0052 0.0116 0.0372
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Echinococcus multilocularis snurportin 1 0.0224 0.0726 0.0719
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0039 0.007 0.0898
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0108 0.0317 0.0375
Loa Loa (eye worm) transcription factor SMAD2 0.0084 0.0231 0.0231
Brugia malayi Trypsin family protein 0.0113 0.0334 0.0326
Brugia malayi beta-NAC-like protein 0.0025 0.0021 0.0013
Schistosoma mansoni tyrosine kinase 0.0708 0.2436 0.2429
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0031 0.0045 0.004
Schistosoma mansoni microtubule-associated protein tau 0.0503 0.171 0.1703
Echinococcus granulosus dihydrofolate reductase 0.2849 1 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0525 0.1788 0.1782
Leishmania major hypothetical protein, conserved 0.0052 0.0116 0.0128
Echinococcus multilocularis peptidase Clp (S14 family) 0.0073 0.0193 0.0185
Schistosoma mansoni hypothetical protein 0.0118 0.0352 0.0344
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0021 0.0225
Trypanosoma brucei heat shock protein, putative 0.0033 0.0052 0.0054
Loa Loa (eye worm) endoplasmin 0.0033 0.0052 0.0052
Loa Loa (eye worm) heat shock protein 75 0.0022 0.0013 0.0013
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0329 0.1098 0.1058
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 0.0812 0.2802 0.2802
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0086 0.0077
Entamoeba histolytica transcription factor BTF3, putative 0.0025 0.0021 0.2148
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0043 0.0086 0.0077
Loa Loa (eye worm) hypothetical protein 0.0113 0.0334 0.0334
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.1556 0.5433 0.543
Loa Loa (eye worm) trypsin family protein 0.0113 0.0334 0.0334
Schistosoma mansoni tar DNA-binding protein 0.0045 0.0092 0.0083
Leishmania major dihydrofolate reductase-thymidylate synthase 0.2321 0.8136 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0088 0.0247 0.0239
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0113 0.0334 0.0326
Toxoplasma gondii heat shock protein 75, putative 0.0022 0.0013 0.0005
Echinococcus multilocularis transcription factor btf3 0.0025 0.0021 0.0013
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0052 0.0116 0.0108
Onchocerca volvulus 0.0113 0.0334 0.1153
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0048 0.0105 0.1251
Trypanosoma cruzi transcription factor btf3, putative 0.0025 0.0021 0.001
Mycobacterium tuberculosis Probable lipase LipE 0.0052 0.0116 0.0073
Trypanosoma cruzi heat shock protein 85, putative 0.0033 0.0052 0.0049
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0039 0.007 0.007
Brugia malayi RNA, U transporter 1 0.006 0.0145 0.0137
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0031 0.0044 0.0112
Echinococcus granulosus heat shock protein 90 0.0029 0.0035 0.0027
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1415 0.4933 0.4929
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Loa Loa (eye worm) hypothetical protein 0.0052 0.0116 0.0116
Brugia malayi RNA binding protein 0.0045 0.0092 0.0083
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0033 0.0052 0.0044
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0108 0.0317 0.0274
Schistosoma mansoni heat shock protein 0.0022 0.0013 0.0004
Echinococcus multilocularis glycoprotein Antigen 5 0.0113 0.0334 0.0326
Echinococcus multilocularis tar DNA binding protein 0.0045 0.0092 0.0083
Leishmania major inosine-5-monophosphate dehydrogenase 0.0108 0.0317 0.0375
Onchocerca volvulus 0.0113 0.0334 0.1153
Onchocerca volvulus 0.0113 0.0334 0.1153
Schistosoma mansoni endoplasmin 0.0033 0.0052 0.0044
Schistosoma mansoni hypothetical protein 0.0118 0.0352 0.0344
Echinococcus multilocularis dihydrofolate reductase 0.2849 1 1
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Trypanosoma cruzi heat shock protein 85, putative 0.0033 0.0052 0.0049
Brugia malayi MH2 domain containing protein 0.0084 0.0231 0.0223
Schistosoma mansoni tar DNA-binding protein 0.0045 0.0092 0.0083
Trypanosoma cruzi transcription factor btf3, putative 0.0025 0.0021 0.001
Mycobacterium ulcerans esterase/lipase LipP 0.0052 0.0116 0.0073
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.2321 0.8136 1
Schistosoma mansoni tyrosine kinase 0.0708 0.2436 0.2429
Trichomonas vaginalis esterase, putative 0.0052 0.0116 0.1396
Echinococcus multilocularis microtubule associated protein 2 0.0503 0.171 0.1703
Echinococcus multilocularis epidermal growth factor receptor 0.0708 0.2436 0.2429
Echinococcus granulosus heat shock protein 90 0.0033 0.0052 0.0044
Loa Loa (eye worm) heat shock protein 90 0.0033 0.0052 0.0052
Echinococcus multilocularis GPCR, family 2 0.0118 0.0352 0.0344
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.025 0.0816 0.099
Onchocerca volvulus 0.0052 0.0116 0.0372
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0031 0.0044 0.0112
Loa Loa (eye worm) hypothetical protein 0.0052 0.0116 0.0116
Echinococcus granulosus thymidylate synthase 0.0525 0.1788 0.1782
Loa Loa (eye worm) hypothetical protein 0.0021 0.0008 0.0008
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0108 0.0317 0.0309
Schistosoma mansoni tyrosine kinase 0.0695 0.2391 0.2385
Onchocerca volvulus Putative GMP reductase 0.0045 0.0093 0.0289
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0224 0.0726 0.0726
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
Mycobacterium ulcerans hypothetical protein 0.0052 0.0116 0.0073
Plasmodium falciparum importin beta, putative 0.0021 0.0008 0.0007
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0113 0.0334 0.0326
Echinococcus multilocularis geminin 0.0119 0.0355 0.0347
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0033 0.0052 0.0044
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0045 0.0093 0.0085
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0057 0.0135 0.0092
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0031 0.0044 0.0112
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0113 0.0334 0.0326
Plasmodium vivax endoplasmin, putative 0.0033 0.0052 0.0054
Brugia malayi Latrophilin receptor protein 2 0.0118 0.0352 0.0344
Mycobacterium tuberculosis Probable hydrolase 0.0052 0.0116 0.0073
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0113 0.0334 0.0326
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0113 0.0334 0.0326
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0112 0.033 0.0287
Mycobacterium tuberculosis Probable lipase LipD 0.0052 0.0116 0.0073
Brugia malayi Endoplasmin precursor 0.0033 0.0052 0.0044
Schistosoma mansoni hypothetical protein 0.0118 0.0352 0.0344
Schistosoma mansoni hypothetical protein 0.0118 0.0352 0.0344
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Echinococcus granulosus tar DNA binding protein 0.0045 0.0092 0.0083
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0108 0.0317 0.0309
Trypanosoma brucei heat shock protein 90, putative 0.0033 0.0052 0.0054
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0029 0.0035 0.0027
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.2321 0.8136 1
Trypanosoma cruzi heat shock protein 85, putative 0.0033 0.0052 0.0049
Echinococcus granulosus epidermal growth factor receptor 0.0708 0.2436 0.2429
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0088 0.0247 0.0239
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0052 0.0117 0.0117
Schistosoma mansoni hypothetical protein 0.0255 0.0836 0.0829
Loa Loa (eye worm) dihydrofolate reductase 0.2849 1 1
Brugia malayi Trypsin family protein 0.0113 0.0334 0.0326
Echinococcus granulosus cytochrome c oxidase subunit II 0.0103 0.0297 0.0289
Plasmodium vivax basic transcription factor 3b, putative 0.0025 0.0021 0.0016
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0112 0.033 0.0395
Schistosoma mansoni tyrosine kinase 0.1556 0.5433 0.543
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0052 0.0116 0.0073
Plasmodium vivax heat shock protein 90, putative 0.0022 0.0013 0.0005
Brugia malayi Protein kinase domain containing protein 0.0861 0.2976 0.297
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.2321 0.8136 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0112 0.033 1
Brugia malayi hypothetical protein 0.025 0.0816 0.0809
Schistosoma mansoni thyroid hormone receptor 0.0103 0.0297 0.0289
Loa Loa (eye worm) latrophilin receptor protein 2 0.0118 0.0352 0.0352
Leishmania major basic transcription factor 3a, putative 0.0025 0.0021 0.001
Schistosoma mansoni endoplasmin 0.0033 0.0052 0.0044
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0108 0.0317 0.0375
Echinococcus multilocularis transmembrane protease serine 3 0.0113 0.0334 0.0326
Chlamydia trachomatis dihydrofolate reductase 0.2849 1 1
Trypanosoma brucei GMP reductase 0.0108 0.0317 0.038
Brugia malayi Calcitonin receptor-like protein seb-1 0.0373 0.1254 0.1247
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0112 0.033 0.033
Trypanosoma brucei heat shock protein, putative 0.0033 0.0052 0.0054
Leishmania major guanosine monophosphate reductase 0.0108 0.0317 0.0375
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0108 0.0317 0.9555
Trypanosoma cruzi heat shock protein 90, putative 0.0029 0.0035 0.0028
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0112 0.033 0.0395
Trypanosoma cruzi GMP reductase 0.0108 0.0317 0.0375
Brugia malayi RNA recognition motif domain containing protein 0.0045 0.0092 0.0083
Echinococcus granulosus snurportin 1 0.0224 0.0726 0.0719
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0525 0.1788 0.1752
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0051 0.0116 0.0072
Echinococcus multilocularis 0.0203 0.0653 0.0645
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0045 0.0092 0.0092
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
Echinococcus granulosus transmembrane protease serine 3 0.0113 0.0334 0.0326
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Schistosoma mansoni jumonji domain containing protein 0.0043 0.0086 0.0077
Loa Loa (eye worm) hypothetical protein 0.0848 0.2932 0.2932
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0113 0.0334 0.0326
Mycobacterium tuberculosis Probable esterase LipL 0.0052 0.0116 0.0073
Trichomonas vaginalis heat shock protein, putative 0.0024 0.002 0.0209
Loa Loa (eye worm) hypothetical protein 0.0052 0.0116 0.0116
Plasmodium falciparum cysteine repeat modular protein 1 0.0812 0.2802 0.3442
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0812 0.2802 0.3438
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Schistosoma mansoni tar DNA-binding protein 0.0045 0.0092 0.0083
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Trypanosoma brucei Heat shock protein 83, putative 0.0033 0.0052 0.0054
Schistosoma mansoni hypothetical protein 0.0224 0.0726 0.0719
Loa Loa (eye worm) hypothetical protein 0.0113 0.0334 0.0334
Schistosoma mansoni cytochrome-c oxidase 0.0031 0.0044 0.0035
Brugia malayi latrophilin 2 splice variant baaae 0.0255 0.0836 0.0829
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0086 0.0077
Trypanosoma brucei heat shock protein, putative 0.0033 0.0052 0.0054
Loa Loa (eye worm) thymidylate synthase 0.0525 0.1788 0.1788
Mycobacterium leprae Probable lipase LipE 0.0052 0.0116 0.0116
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
Brugia malayi jmjC domain containing protein 0.0043 0.0086 0.0077
Schistosoma mansoni hypothetical protein 0.0113 0.0334 0.0326
Leishmania major hypothetical protein, conserved 0.0812 0.2802 0.3434
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0108 0.0317 0.0274
Mycobacterium tuberculosis Conserved protein 0.0052 0.0116 0.0073
Echinococcus granulosus beta LACTamase domain containing family member 0.0052 0.0116 0.0108
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0033 0.0052 0.0044
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.1159 0.4031 0.4026
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0108 0.0317 0.0317
Brugia malayi beta-lactamase 0.0052 0.0116 0.0108
Toxoplasma gondii cytochrome C oxidase subunit IIb, putative 0.0031 0.0044 0.0044
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0108 0.0317 0.0309
Trypanosoma brucei heat shock protein 90, putative 0.0033 0.0052 0.0054
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0021 0.0225
Trichomonas vaginalis penicillin-binding protein, putative 0.0052 0.0116 0.1396
Schistosoma mansoni heat shock protein 0.0033 0.0052 0.0044
Echinococcus granulosus enteropeptidase 0.0113 0.0334 0.0326
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.2849 1 1
Schistosoma mansoni cytochrome c oxidase subunit II 0.0084 0.0231 0.0223
Toxoplasma gondii ABC1 family protein 0.0052 0.0116 0.0133
Toxoplasma gondii heat shock protein HSP90 0.0033 0.0052 0.0054
Trichomonas vaginalis penicillin-binding protein, putative 0.0052 0.0116 0.1396
Echinococcus granulosus insulin growth factor 1 receptor beta 0.1556 0.5433 0.543
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Loa Loa (eye worm) RNA binding protein 0.0045 0.0092 0.0092
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0033 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0113 0.0334 0.0334
Loa Loa (eye worm) IMP dehydrogenase 1 0.0108 0.0317 0.0317
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0086 0.0077
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0.0116 0.0128
Brugia malayi hypothetical protein 0.0113 0.0334 0.0326
Trypanosoma brucei hypothetical protein, conserved 0.0052 0.0116 0.0133
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0057 0.0135 0.0135
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0045 0.0093 0.0085
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Loa Loa (eye worm) TK/ROR protein kinase 0.0824 0.2847 0.2847
Mycobacterium ulcerans hypothetical protein 0.0113 0.0334 0.0292
Schistosoma mansoni cercarial elastase (S01 family) 0.0113 0.0334 0.0326
Wolbachia endosymbiont of Brugia malayi cytochrome c oxidase, subunit 2 0.0103 0.0297 0.8851
Echinococcus granulosus insulin receptor 0.1556 0.5433 0.543
Trypanosoma cruzi heat shock protein 85, putative 0.0029 0.0035 0.0028
Echinococcus granulosus transcription factor btf3 0.0025 0.0021 0.0013
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0086 0.0086
Echinococcus multilocularis heat shock protein 90 0.0029 0.0035 0.0027
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0073 0.0193 0.015
Schistosoma mansoni peptidase Clp (S14 family) 0.0112 0.033 0.0322
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0118 0.0352 0.0344
Toxoplasma gondii NAC domain-containing protein 0.0025 0.0021 0.0016
Brugia malayi GMP reductase 0.0045 0.0093 0.0085
Echinococcus granulosus endoplasmin 0.0031 0.0045 0.0037
Loa Loa (eye worm) hypothetical protein 0.0052 0.0116 0.0116
Plasmodium falciparum cytochrome c oxidase subunit 2, putative 0.0031 0.0044 0.0051
Brugia malayi Trypsin-like protease protein 5 0.0113 0.0334 0.0326
Loa Loa (eye worm) hypothetical protein 0.0113 0.0334 0.0334
Echinococcus granulosus GPCR family 2 0.0118 0.0352 0.0344
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.2321 0.8136 1
Trypanosoma cruzi GMP reductase 0.0108 0.0317 0.0375
Echinococcus granulosus peptidase Clp S14 family 0.0073 0.0193 0.0185
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) GMP reductase 0.0045 0.0093 0.0093
Echinococcus granulosus epidermal growth factor receptor 0.0708 0.2436 0.2429
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0113 0.0334 0.0326
Schistosoma mansoni tyrosine kinase 0.0695 0.2391 0.2385
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0051 0.0116 0.0116
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0031 0.0045 0.0045
Loa Loa (eye worm) TK/INSR protein kinase 0.1556 0.5433 0.5433
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.2849 1 1
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0072 0.0187 0.022
Brugia malayi Hsp90 protein 0.0022 0.0013 0.0004
Mycobacterium ulcerans heat shock protein 90 0.0031 0.0045 0.0001
Brugia malayi thymidylate synthase 0.0525 0.1788 0.1782
Trichomonas vaginalis conserved hypothetical protein 0.025 0.0816 1
Brugia malayi Dihydrofolate reductase 0.2849 1 1
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0108 0.0317 0.0309
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Echinococcus multilocularis beta LACTamase domain containing family member 0.0052 0.0116 0.0108
Toxoplasma gondii Hsp90 domain-containing protein 0.0126 0.0381 0.0459
Echinococcus multilocularis enteropeptidase 0.0113 0.0334 0.0326
Schistosoma mansoni transcription factor btf3 0.0025 0.0021 0.0013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0033 0.0052 0.0044
Brugia malayi Furin-like cysteine rich region family protein 0.0708 0.2436 0.2429
Mycobacterium tuberculosis Conserved protein 0.0052 0.0116 0.0073
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0073 0.0193 0.015
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0052 0.0116 0.0073
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0708 0.2436 0.2429
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0113 0.0334 0.0326
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0112 0.033 0.0402
Leishmania major heat shock protein 83-1 0.0033 0.0052 0.0049
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.1159 0.4031 0.4026
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0048 0.0105 0.1251
Trypanosoma brucei heat shock protein, putative 0.0033 0.0052 0.0054
Brugia malayi beta-lactamase family protein 0.0052 0.0116 0.0108
Trichomonas vaginalis heat shock protein, putative 0.0029 0.0035 0.0397
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0113 0.0334 0.0326
Brugia malayi Protein kinase domain containing protein 0.0824 0.2847 0.2841
Schistosoma mansoni heat shock protein 0.0033 0.0052 0.0044
Trypanosoma brucei heat shock protein, putative 0.0033 0.0052 0.0054
Loa Loa (eye worm) TK/EGFR protein kinase 0.0708 0.2436 0.2436
Toxoplasma gondii heat shock protein 90, putative 0.0033 0.0052 0.0054
Schistosoma mansoni tar DNA-binding protein 0.0045 0.0092 0.0083
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0021 0.0225
Trichomonas vaginalis endoplasmin, putative 0.0024 0.002 0.0209
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0022 0.0013 0.0004
Trichomonas vaginalis D-aminoacylase, putative 0.0052 0.0116 0.1396
Giardia lamblia Grp94/Hsp90 0.0031 0.0045 0.5748
Echinococcus multilocularis heat shock protein 90 0.0033 0.0052 0.0044
Schistosoma mansoni hypothetical protein 0.0119 0.0355 0.0347
Schistosoma mansoni voltage-gated potassium channel 0.0056 0.0133 0.0125
Schistosoma mansoni dihydrofolate reductase 0.2849 1 1
Brugia malayi beta-lactamase family protein 0.0052 0.0116 0.0108
Plasmodium vivax heat shock protein, putative 0.0126 0.0381 0.0459
Echinococcus multilocularis epidermal growth factor receptor 0.0708 0.2436 0.2429
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0031 0.0045 0.0001
Echinococcus granulosus microtubule associated protein 2 0.0503 0.171 0.1703
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0118 0.0352 0.0344
Mycobacterium leprae conserved hypothetical protein 0.0052 0.0116 0.0116
Trypanosoma cruzi Heat shock protein 83, putative 0.0033 0.0052 0.0049
Plasmodium falciparum heat shock protein 90, putative 0.0126 0.0381 0.0465
Loa Loa (eye worm) hypothetical protein 0.0113 0.0334 0.0334
Onchocerca volvulus 0.0113 0.0334 0.1153
Plasmodium falciparum endoplasmin, putative 0.0024 0.002 0.0021
Schistosoma mansoni hypothetical protein 0.0088 0.0247 0.0239
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0.0116 0.0128
Trypanosoma brucei heat shock protein, putative 0.0033 0.0052 0.0054
Mycobacterium ulcerans beta-lactamase 0.0052 0.0116 0.0073
Brugia malayi Trypsin family protein 0.0113 0.0334 0.0326
Brugia malayi Kringle domain containing protein 0.0812 0.2802 0.2796
Echinococcus granulosus tissue type plasminogen activator 0.0812 0.2802 0.2796
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0052 0.0117 0.0108
Loa Loa (eye worm) ICD-1 protein 0.0025 0.0021 0.0021
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0086 0.0077
Loa Loa (eye worm) hypothetical protein 0.0118 0.0352 0.0352
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0052 0.0117 0.0108
Brugia malayi TAR-binding protein 0.0045 0.0092 0.0083
Onchocerca volvulus 0.0031 0.0044 0.0112
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0112 0.033 1
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0108 0.0317 0.038
Plasmodium vivax heat shock protein 86, putative 0.0033 0.0052 0.0054
Echinococcus multilocularis thymidylate synthase 0.0525 0.1788 0.1782
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0108 0.0317 0.0375
Mycobacterium tuberculosis Hypothetical protein 0.025 0.0816 0.0776
Echinococcus multilocularis Mastin 0.0113 0.0334 0.0326
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0031 0.0044 0.0112

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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