Detailed information for compound 587870

Basic information

Technical information
  • TDR Targets ID: 587870
  • Name: antibiotic A 47934
  • MW: 1313.43 | Formula: C58H44Cl3N7O21S
  • H donors: 15 H acceptors: 17 LogP: 0.69 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 4
  • SMILES: Oc1cc2cc(c1)[C@@H]1NC(=O)[C@@H](Cc3ccc(c(c3)Cl)Oc3cc4[C@@H](NC1=O)C(=O)N[C@H]1C(=O)N[C@H](C(=O)N[C@@H](c5c(c6cc1cc(Cl)c6O)c(O)cc(c5)O)C(=O)O)[C@H](O)c1ccc(Oc(c4)c3O)c(Cl)c1)NC(=O)[C@@H](c1cc(O2)c(cc1)OS(=O)(=O)O)N
  • InChi: 1S/C58H44Cl3N7O21S/c59-31-7-20-1-4-36(31)87-40-15-25-16-41(51(40)74)88-37-5-3-22(12-32(37)60)49(72)48-57(80)67-47(58(81)82)29-18-27(70)19-35(71)42(29)30-11-24(13-33(61)50(30)73)45(56(79)68-48)65-55(78)46(25)66-54(77)44-23-9-26(69)17-28(10-23)86-39-14-21(2-6-38(39)89-90(83,84)85)43(62)53(76)63-34(8-20)52(75)64-44/h1-7,9-19,34,43-49,69-74H,8,62H2,(H,63,76)(H,64,75)(H,65,78)(H,66,77)(H,67,80)(H,68,79)(H,81,82)(H,83,84,85)/t34-,43-,44+,45-,46-,47+,48+,49-/m1/s1
  • InChiKey: HRGFAEUWEMDRRZ-QLRHZSCISA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • Ristomycin A aglycone, 22,31,45-trichloro-7-demethyl-64-O-demethyl-19-deoxy-, 11-(hydrogen sulfate)
  • A-47934 Antibiotic

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) hypothetical protein 0.0036 0.0056 0.006
Loa Loa (eye worm) thioredoxin reductase 0.004 0.007 0.0075
Loa Loa (eye worm) acyl-CoA desaturase 0.2968 0.933 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0056 0.1861
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0012 0.0013
Toxoplasma gondii ABC1 family protein 0.0036 0.0056 0.0774
Plasmodium vivax thioredoxin reductase, putative 0.004 0.007 0.0065
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0102 0.0265 0.3412
Mycobacterium tuberculosis Probable conserved membrane protein 0.0212 0.0612 0.9081
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0212 0.0612 0.0603
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0212 0.0612 0.0603
Trypanosoma cruzi fatty acid desaturase, putative 0.0212 0.0612 0.0603
Mycobacterium tuberculosis Probable oxidoreductase 0.0102 0.0265 0.3412
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0212 0.0612 0.6699
Brugia malayi Fatty acid desaturase family protein 0.0212 0.0612 0.0647
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.0212 0.0612 0.0603
Brugia malayi PHD-finger family protein 0.0026 0.0026 0.0018
Brugia malayi hypothetical protein 0.0236 0.0689 0.0729
Trichomonas vaginalis esterase, putative 0.0036 0.0056 0.1861
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0212 0.0612 0.0603
Loa Loa (eye worm) hypothetical protein 0.0036 0.0056 0.006
Trypanosoma brucei fatty acid desaturase, putative 0.318 1 1
Schistosoma mansoni fatty acid desaturase 0.0212 0.0612 0.6699
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0102 0.0265 1
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0212 0.0612 0.9081
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0056 0.005
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0212 0.0612 1
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0212 0.0612 1
Plasmodium falciparum glutathione reductase 0.004 0.007 0.0065
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0016 0.0272
Leishmania major delta-5 fatty acid desaturase 0.0212 0.0612 0.0603
Loa Loa (eye worm) hypothetical protein 0.0041 0.0072 0.0077
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.026 0.0251
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0212 0.0612 0.6699
Brugia malayi Bromodomain containing protein 0.008 0.0195 0.0199
Trichomonas vaginalis CAMK family protein kinase 0.01 0.026 1
Echinococcus granulosus zinc finger protein 0.0021 0.0008 0.0093
Trichomonas vaginalis CAMK family protein kinase 0.01 0.026 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0102 0.0265 0.3412
Plasmodium vivax glutathione reductase, putative 0.004 0.007 0.0065
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0056 0.1861
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0063 0.0694
Schistosoma mansoni hypothetical protein 0.0051 0.0103 0.1126
Toxoplasma gondii thioredoxin reductase 0.004 0.007 0.0999
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0212 0.0612 1
Trypanosoma cruzi fatty acid desaturase, putative 0.2968 0.933 0.933
Onchocerca volvulus 0.318 1 1
Leishmania major fatty-acid desaturase, putative 0.318 1 1
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0212 0.0612 0.0603
Echinococcus granulosus importin subunit beta 1 0.0029 0.0034 0.0368
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0056 0.1861
Loa Loa (eye worm) glutathione reductase 0.004 0.007 0.0075
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0056 0.0616
Plasmodium falciparum thioredoxin reductase 0.004 0.007 0.0065
Schistosoma mansoni kinase 0.0051 0.0104 0.1139
Plasmodium falciparum stearoyl-CoA desaturase 0.2968 0.933 1
Echinococcus granulosus survival motor neuron protein 1 0.0236 0.0689 0.7537
Loa Loa (eye worm) hypothetical protein 0.0029 0.0034 0.0036
Mycobacterium ulcerans hypothetical protein 0.0212 0.0612 1
Trypanosoma cruzi fatty acid desaturase, putative 0.318 1 1
Loa Loa (eye worm) fatty acid desaturase 0.0212 0.0612 0.0656
Entamoeba histolytica serine/threonine protein kinase, putative 0.01 0.026 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.001 0.0105
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0143 0.1569
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0212 0.0612 0.0603
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0034 0.0368
Leishmania major delta-6 fatty acid desaturase 0.0212 0.0612 0.0603
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0212 0.0612 0.9081
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0018 0.0202
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.01 0.026 0.0251
Onchocerca volvulus 0.318 1 1
Mycobacterium ulcerans hypothetical protein 0.0212 0.0612 1
Loa Loa (eye worm) fatty acid desaturase 0.0212 0.0612 0.0656
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0092 0.0233 0.845
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0212 0.0612 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0056 0.1861
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0092 0.0233 0.2883
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.0669 1
Onchocerca volvulus 0.0212 0.0612 0.0559
Giardia lamblia Kinase, PLK 0.01 0.026 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0056 0.006
Loa Loa (eye worm) hypothetical protein 0.0036 0.0056 0.006
Trypanosoma cruzi fatty acid desaturase, putative 0.2968 0.933 0.933
Brugia malayi Fatty acid desaturase family protein 0.0212 0.0612 0.0647
Schistosoma mansoni importin beta-1 0.0029 0.0034 0.0368
Loa Loa (eye worm) hypothetical protein 0.0236 0.0689 0.0738
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.0212 0.0612 0.0603
Plasmodium vivax importin-beta 2, putative 0.0029 0.0034 0.0026
Brugia malayi Importin beta-1 subunit 0.0029 0.0034 0.0026
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0212 0.0612 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0092 0.0233 0.2883
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.007 0.0222
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0018 0.0202
Brugia malayi glutathione reductase 0.004 0.007 0.0065
Schistosoma mansoni zinc finger protein 0.0021 0.0008 0.0093
Echinococcus multilocularis thioredoxin glutathione reductase 0.0041 0.0072 0.0783
Echinococcus granulosus serine:threonine protein kinase PLK1 0.01 0.026 0.2847
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.001 0.001
Leishmania major trypanothione reductase 0.004 0.007 0.006
Schistosoma mansoni hypothetical protein 0.0307 0.0914 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0016 0.0007
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0034 0.0024
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0212 0.0612 0.6699
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0092 0.0233 0.2883
Echinococcus granulosus thioredoxin glutathione reductase 0.0041 0.0072 0.0783
Schistosoma mansoni ran 0.0021 0.001 0.0105
Brugia malayi acyl-CoA desaturase 0.2968 0.933 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0056 0.006
Trichomonas vaginalis CAMK family protein kinase 0.005 0.01 0.3601
Loa Loa (eye worm) beta-lactamase 0.0036 0.0056 0.006
Trypanosoma brucei trypanothione reductase 0.004 0.007 0.006
Loa Loa (eye worm) hypothetical protein 0.0036 0.0056 0.006
Brugia malayi Thioredoxin reductase 0.004 0.007 0.0065
Schistosoma mansoni hypothetical protein 0.0048 0.0095 0.1038
Brugia malayi beta-lactamase family protein 0.0036 0.0056 0.005
Echinococcus granulosus Fatty acid desaturase type 1 0.0212 0.0612 0.6699
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.026 0.0251
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.0212 0.0612 0.0603
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0056 0.0047
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0212 0.0612 0.6699
Plasmodium falciparum importin beta, putative 0.0029 0.0034 0.0026
Trichomonas vaginalis CAMK family protein kinase 0.01 0.026 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0086 0.0092
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0056 0.005
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0002 0.0002
Echinococcus multilocularis zinc finger protein 0.0021 0.0008 0.0093
Trypanosoma brucei polo-like protein kinase 0.01 0.026 0.0251
Leishmania major importin beta-1 subunit, putative 0.0023 0.0016 0.0007
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.001 0.0105
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0056 0.0047
Leishmania major fatty acid desaturase, putative 0.0212 0.0612 0.0603
Loa Loa (eye worm) hypothetical protein 0.0043 0.008 0.0085
Trypanosoma brucei cytochrome b5-dependent oleate desaturase 0.0212 0.0612 0.0603
Echinococcus granulosus snurportin 1 0.0307 0.0914 1
Brugia malayi RNA, U transporter 1 0.0082 0.0201 0.0206
Brugia malayi Delta5 fatty acid desaturase 0.0212 0.0612 0.0647
Loa Loa (eye worm) hypothetical protein 0.0075 0.018 0.0193
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.007 0.006
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0016 0.0272
Trichomonas vaginalis CAMK family protein kinase 0.01 0.026 1
Schistosoma mansoni serine/threonine protein kinase 0.01 0.026 0.2847
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0307 0.0914 0.098
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0092 0.0233 0.2883
Leishmania major delta-12 fatty acid desaturase 0.0212 0.0612 0.0603
Leishmania major delta-4 fatty acid desaturase 0.0212 0.0612 0.0603
Brugia malayi beta-lactamase 0.0036 0.0056 0.005
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0016 0.0272
Onchocerca volvulus Serine\/threonine kinase homolog 0.01 0.026 0.0205
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0212 0.0612 0.0603
Brugia malayi Bromodomain containing protein 0.0041 0.0071 0.0066
Loa Loa (eye worm) hypothetical protein 0.0036 0.0056 0.006
Echinococcus multilocularis snurportin 1 0.0307 0.0914 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0095 0.0091
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0018 0.0202
Loa Loa (eye worm) FAT-3 protein 0.0212 0.0612 0.0656
Mycobacterium tuberculosis Probable reductase 0.0092 0.0233 0.2883
Entamoeba histolytica hypothetical protein 0.0023 0.0016 0.0272
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0034 0.0024
Mycobacterium ulcerans electron transfer protein FdxB 0.0212 0.0612 1
Trichomonas vaginalis CAMK family protein kinase 0.01 0.026 1
Leishmania major hypothetical protein, conserved 0.0036 0.0056 0.0047
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0063 0.0694
Trichomonas vaginalis CAMK family protein kinase 0.01 0.026 1
Schistosoma mansoni survival motor neuron protein 0.0048 0.0095 0.1038
Schistosoma mansoni ran 0.0021 0.001 0.0105
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0056 0.0047
Brugia malayi serine/threonine-protein kinase plk-2 0.01 0.026 0.0269
Loa Loa (eye worm) hypothetical protein 0.0212 0.0612 0.0656
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0056 0.0616
Trichomonas vaginalis CAMK family protein kinase 0.01 0.026 1
Trichomonas vaginalis CAMK family protein kinase 0.005 0.01 0.3601
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0092 0.0233 0.2883
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0034 0.0399
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0056 0.0616
Echinococcus multilocularis survival motor neuron protein 1 0.0236 0.0689 0.7537
Schistosoma mansoni bromodomain containing protein 0.0067 0.0155 0.1701
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0143 0.1569
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.2968 0.933 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0212 0.0612 0.0603
Schistosoma mansoni hypothetical protein 0.0022 0.0012 0.0132
Brugia malayi beta-lactamase family protein 0.0036 0.0056 0.005
Trypanosoma brucei delta-4 fatty acid desaturase 0.0212 0.0612 0.0603
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0056 0.1861
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.01 0.026 0.0279
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0056 0.0616
Onchocerca volvulus 0.0048 0.0095 0.0039
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.0212 0.0612 0.0603
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.01 0.026 0.2847
Leishmania major fatty acid desaturase, putative 0.0212 0.0612 0.0603

Activities

No activities found for this compound.

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

No literature references available for this target.

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