Detailed information for compound 104537

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 458.595 | Formula: C19H30N4O5S2
  • H donors: 4 H acceptors: 4 LogP: 2.28 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)[C@H](NS(=O)(=O)c1ccc(cc1)OC)CCC/N=C(/NC1CCCCC1)\S
  • InChi: 1S/C19H30N4O5S2/c1-28-15-9-11-16(12-10-15)30(26,27)23-17(18(24)22-25)8-5-13-20-19(29)21-14-6-3-2-4-7-14/h9-12,14,17,23,25H,2-8,13H2,1H3,(H,22,24)(H2,20,21,29)/t17-/m1/s1
  • InChiKey: SVGRJJNICXPSGW-QGZVFWFLSA-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 tolloid-like 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) AStacin protease Get druggable targets OG5_130155 All targets in OG5_130155
Schistosoma japonicum Tolloid-like protein 2 precursor, putative Get druggable targets OG5_130155 All targets in OG5_130155
Schistosoma japonicum Bone morphogenetic protein 1 homolog precursor, putative Get druggable targets OG5_130155 All targets in OG5_130155
Schistosoma japonicum ko:K09608 tolloid-like protein 1, putative Get druggable targets OG5_130155 All targets in OG5_130155
Loa Loa (eye worm) bone morphogenetic protein 1b Get druggable targets OG5_130155 All targets in OG5_130155
Schistosoma japonicum IPR000859,CUB,domain-containing Get druggable targets OG5_130155 All targets in OG5_130155
Echinococcus granulosus Tolloid protein 1 Get druggable targets OG5_130155 All targets in OG5_130155
Schistosoma japonicum Iroquois-class homeodomain protein IRX-1, putative Get druggable targets OG5_130155 All targets in OG5_130155
Echinococcus multilocularis Tolloid protein 1 Get druggable targets OG5_130155 All targets in OG5_130155
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130155 All targets in OG5_130155
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) Get druggable targets OG5_130155 All targets in OG5_130155
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 laminin 0.0018 0.0074 0.0138
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0136 0.0334
Schistosoma mansoni ferritin 0.0008 0.0015 0.0038
Echinococcus multilocularis muscleblind protein 0.0146 0.0859 0.1734
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0296 1
Echinococcus granulosus expressed conserved protein 0.0092 0.0529 0.2127
Echinococcus granulosus importin subunit beta 1 0.0028 0.0136 0.053
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0136 0.0334
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0642 0.3907 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.006 0.0056
Schistosoma mansoni ferritin light chain 0.0008 0.0015 0.0038
Brugia malayi follicle stimulating hormone receptor 0.0226 0.1352 0.1349
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0343 0.1371
Echinococcus granulosus dnaJ subfamily B 0.0407 0.2465 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0238 0.0942
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0108 1
Schistosoma mansoni apoferritin-2 0.0008 0.0015 0.0038
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0222 0.0878
Brugia malayi DKFZp564C0469 protein 0.001 0.0024 0.002
Brugia malayi hypothetical protein 0.001 0.0024 0.002
Loa Loa (eye worm) hypothetical protein 0.0053 0.0291 0.0288
Brugia malayi Nematode astacin protease protein 30 0.0007 0.0006 0.0003
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.001 0.0024 0.0008
Loa Loa (eye worm) hypothetical protein 0.0018 0.0072 0.0068
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0091 0.6497
Trichomonas vaginalis ran, putative 0.0021 0.0091 0.3997
Toxoplasma gondii calcium binding egf domain-containing protein 0.0018 0.0074 0.233
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0018 0.0074 0.007
Echinococcus granulosus tar DNA binding protein 0.0062 0.0343 0.1371
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.0566 0.1138
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.002
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.002
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0024 0.0045
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0006 0.0546
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.001 0.0024 0.1722
Onchocerca volvulus Arrow homolog 0.0016 0.0062 0.4353
Brugia malayi Muscleblind-like protein 0.0146 0.0859 0.0856
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0238 0.0234
Schistosoma mansoni ferritin 0.0008 0.0015 0.0038
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0108 1
Brugia malayi topoisomerase 0.001 0.0024 0.002
Brugia malayi Zinc metalloproteinase toh-2 precursor 0.0007 0.0006 0.0003
Schistosoma mansoni hypothetical protein 0.0016 0.006 0.0219
Schistosoma mansoni hypothetical protein 0.0169 0.1 0.4041
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0006 0.0002
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0.0024 0.0608
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0108 0.0263
Schistosoma mansoni hypothetical protein 0.0016 0.006 0.0219
Echinococcus granulosus Tolloid protein 1 0.0056 0.0305 0.1216
Schistosoma mansoni hypothetical protein 0.0034 0.0172 0.0674
Brugia malayi Latrophilin receptor protein 2 0.0016 0.006 0.0056
Onchocerca volvulus 0.0007 0.0006 0.0184
Echinococcus granulosus geminin 0.0169 0.1 0.4041
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.006 0.0056
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0006 0.0002
Onchocerca volvulus 0.0007 0.0006 0.0206
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0143 0.0843 0.1702
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0008 0.0015 0.1402
Loa Loa (eye worm) hypothetical protein 0.0146 0.0859 0.0856
Schistosoma mansoni hypothetical protein 0.0041 0.0212 0.084
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0268 0.0265
Schistosoma mansoni egf-like domain protein 0.0016 0.0062 0.023
Schistosoma mansoni cpg binding protein 0.0029 0.0139 0.0541
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.03 0.1808 0.1806
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0072 0.6421
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0091 0.0217
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0016 0.0062 0.0059
Echinococcus granulosus cpg binding protein 0.003 0.0149 0.0582
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0108 0.183
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0172 0.0168
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0006 0.0546
Schistosoma mansoni hypothetical protein 0.0041 0.0212 0.084
Plasmodium falciparum importin beta, putative 0.0028 0.0136 1
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0024 0.0045
Echinococcus multilocularis cpg binding protein 0.003 0.0149 0.0291
Loa Loa (eye worm) hypothetical protein 0.0007 0.0006 0.0003
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.006 0.0219
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0006 0.0546
Loa Loa (eye worm) hypothetical protein 0.0018 0.0074 0.007
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0006 0.0002
Schistosoma mansoni hypothetical protein 0.0041 0.0212 0.084
Loa Loa (eye worm) hypothetical protein 0.0007 0.0006 0.0002
Loa Loa (eye worm) oxidoreductase 0.0007 0.0006 0.0002
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0024 0.0045
Loa Loa (eye worm) hypothetical protein 0.0098 0.0566 0.0562
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0007 0.0002
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0008 0.0015 0.0906
Echinococcus granulosus GPCR family 2 0.0016 0.006 0.0219
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.0024 0.0934
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0642 0.3907 1
Echinococcus granulosus Niemann Pick C1 protein 0.014 0.0824 0.3326
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0108 1
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0016 0.0062 0.0059
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0091 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0222 0.0218
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0238 0.0942
Schistosoma mansoni hypothetical protein 0.03 0.1808 0.7328
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0006 0.0002
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0343 0.1371
Loa Loa (eye worm) voltage-gated potassium channel 0.0141 0.0828 0.0825
Echinococcus multilocularis muscleblind protein 1 0.0146 0.0859 0.1734
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.002
Loa Loa (eye worm) hypothetical protein 0.1633 1 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0222 0.0218
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0222 0.0439
Echinococcus multilocularis protein dispatched 1 0.0048 0.0258 0.0513
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0238 0.0471
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0006 0.0002
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0018 0.0014
Schistosoma mansoni cpg binding protein 0.003 0.0149 0.0582
Schistosoma mansoni ferritin 0.0008 0.0015 0.0038
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0108 1
Leishmania major GTP-binding protein, putative 0.0021 0.0091 0.0217
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0222 0.0878
Schistosoma mansoni cpg binding protein 0.003 0.0149 0.0582
Loa Loa (eye worm) hypothetical protein 0.0018 0.0072 0.0068
Mycobacterium ulcerans hypothetical protein 0.0024 0.0108 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0006 0.0546
Echinococcus multilocularis snurportin 1 0.03 0.1808 0.3665
Loa Loa (eye worm) AStacin protease 0.0035 0.0177 0.0174
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0091 0.0087
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0024 0.0934
Schistosoma mansoni hypothetical protein 0.0407 0.2465 1
Schistosoma mansoni topbp1 0.001 0.0024 0.0072
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0056 0.0305 0.1216
Loa Loa (eye worm) hypothetical protein 0.0024 0.0108 0.0105
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0007 0.0002
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0136 0.4487
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0343 0.1371
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0066 0.6071
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0268 0.0265
Echinococcus multilocularis Tolloid protein 1 0.0056 0.0305 0.0608
Loa Loa (eye worm) hypothetical protein 0.0064 0.0359 0.0356
Entamoeba histolytica hypothetical protein 0.0023 0.0103 0.1743
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.006 0.011
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0642 0.3907 1
Treponema pallidum DNA ligase (lig) 0.001 0.0024 1
Plasmodium vivax replication factor C subunit 1, putative 0.001 0.0024 0.1355
Loa Loa (eye worm) hypothetical protein 0.0016 0.0062 0.0059
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0108 0.0263
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0066 0.6071
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0064 0.0359 0.0718
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0143 0.0843 0.084
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0066 0.6071
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0006 0.0546
Schistosoma mansoni patched 1 0.0042 0.0222 0.0878
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0024 0.0934
Toxoplasma gondii ATPase, AAA family protein 0.001 0.0024 0.0608
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0018 0.0024
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0143 0.0843 0.3403
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0139 0.0136
Brugia malayi RNA binding protein 0.0062 0.0343 0.034
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0343 0.1371
Loa Loa (eye worm) hypothetical protein 0.0023 0.0103 0.0099
Echinococcus multilocularis fibrillin 1 0.0018 0.0074 0.0138
Brugia malayi hypothetical protein 0.001 0.0024 0.002
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0238 0.0234
Echinococcus granulosus expressed protein 0.0008 0.0015 0.0038
Entamoeba histolytica hypothetical protein 0.0036 0.0183 0.3171
Loa Loa (eye worm) hypothetical protein 0.0146 0.0859 0.0856
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0008 0.0015 0.1402
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0006 0.0002
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0024 0.002
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0143 0.0843 0.3403
Echinococcus multilocularis dnaJ subfamily B 0.0407 0.2465 0.5001
Schistosoma mansoni hypothetical protein 0.0169 0.1 0.4041
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.006 0.011
Entamoeba histolytica hypothetical protein 0.0036 0.0183 0.3171
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0091 0.0217
Echinococcus multilocularis expressed conserved protein 0.0092 0.0529 0.1064
Echinococcus multilocularis nibrin 0.001 0.0024 0.0036
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0018 0.0048
Toxoplasma gondii calcium binding egf domain-containing protein 0.0018 0.0074 0.233
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0238 0.0942
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0103 0.4589
Loa Loa (eye worm) hypothetical protein 0.0018 0.0072 0.0068
Mycobacterium ulcerans bacterioferritin BfrB 0.0008 0.0015 0.0906
Echinococcus multilocularis ferritin 0.0008 0.0015 0.0019
Schistosoma mansoni topbp1 0.001 0.0024 0.0072
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0007 0.0004
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0108 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0108 0.0105
Loa Loa (eye worm) hypothetical protein 0.0016 0.006 0.0056
Brugia malayi Calcium binding EGF domain containing protein 0.0018 0.0074 0.007
Brugia malayi hypothetical protein 0.0036 0.0183 0.018
Echinococcus granulosus laminin 0.0018 0.0074 0.0275
Brugia malayi CXXC zinc finger family protein 0.0029 0.0139 0.0136
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0343 0.1371
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0024 0.0934
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0103 0.4589
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0024 0.002
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0336 0.1342
Echinococcus granulosus ferritin 0.0008 0.0015 0.0038
Echinococcus granulosus muscleblind protein 0.0146 0.0859 0.3467
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0072 0.5051
Echinococcus multilocularis geminin 0.0169 0.1 0.2021
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0056 0.0305 0.0302
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0136 0.0265
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0108 0.0105
Onchocerca volvulus 0.0024 0.0108 0.7739
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0006 0.0002
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0091 0.0172
Echinococcus granulosus potassium voltage gated channel subfamily KQT 0.0064 0.0359 0.1436
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0091 0.0217
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0006 0.0546
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0108 1
Schistosoma mansoni hypothetical protein 0.0016 0.006 0.0219
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0108 1
Schistosoma mansoni ferritin 0.0008 0.0015 0.0038
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0017 0.0014
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0006 0.0546
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0343 0.034
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0006 0.0546
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0343 0.034
Plasmodium falciparum replication factor C subunit 1, putative 0.001 0.0024 0.1355
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0024 0.0045
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0238 0.0942
Brugia malayi RNA, U transporter 1 0.008 0.0455 0.0452
Brugia malayi zinc metalloproteinase toh-2 precursor 0.0007 0.0006 0.0003
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 0.1352 0.1349
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0024 0.0934
Entamoeba histolytica hypothetical protein 0.001 0.0024 0.0315
Schistosoma mansoni niemann-pick C1 (NPC1) 0.01 0.0575 0.2313
Loa Loa (eye worm) zinc metalloproteinase toh-2 0.0007 0.0006 0.0003
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0006 0.0127
Echinococcus multilocularis protein patched 0.0042 0.0222 0.0439
Schistosoma mansoni ran 0.0021 0.0091 0.0344
Echinococcus multilocularis GPCR, family 2 0.0016 0.006 0.011
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0108 0.0105
Schistosoma mansoni hypothetical protein 0.0036 0.0183 0.0722
Brugia malayi CHE-14 protein 0.0042 0.0222 0.0218
Plasmodium vivax importin-beta 2, putative 0.0028 0.0136 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0006 0.0546
Schistosoma mansoni hypothetical protein 0.0041 0.0212 0.084
Onchocerca volvulus 0.0007 0.0006 0.0184
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0024 0.0934
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0024 0.0934
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0183 0.0722
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0108 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0108 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0024 0.0934
Mycobacterium ulcerans bacterioferritin BfrA 0.0008 0.0015 0.0906
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0006 0.0127
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0066 0.6071
Loa Loa (eye worm) hypothetical protein 0.0018 0.0072 0.0068
Entamoeba histolytica hypothetical protein 0.0036 0.0183 0.3171
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0108 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.0343 0.034
Schistosoma mansoni importin beta-1 0.0028 0.0136 0.053
Echinococcus multilocularis Niemann Pick C1 protein 0.014 0.0824 0.1664
Loa Loa (eye worm) DPY-31 protein 0.0007 0.0006 0.0003
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0222 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0103 0.4589
Echinococcus granulosus nibrin 0.001 0.0024 0.0072
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0343 0.0685
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0007 0.0004
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0091 0.6497
Loa Loa (eye worm) hypothetical protein 0.0064 0.0359 0.0356
Echinococcus granulosus replication factor c subunit 1 0.001 0.0024 0.0072
Entamoeba histolytica hypothetical protein 0.0036 0.0183 0.3171
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.002
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.0566 0.0562
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0024 0.0315
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0007 0.0004
Loa Loa (eye worm) hypothetical protein 0.0007 0.0006 0.0002
Loa Loa (eye worm) hypothetical protein 0.0024 0.0108 0.0105
Schistosoma mansoni ran 0.0021 0.0091 0.0344
Loa Loa (eye worm) hypothetical protein 0.0016 0.0062 0.0059
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0091 0.0344
Schistosoma mansoni hypothetical protein 0.0016 0.006 0.0219
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0024 0.0036
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0268 0.0265
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0108 0.0263
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0072 1
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0064 0.0359 0.0356
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.0566 0.2276
Onchocerca volvulus 0.0007 0.0006 0.0184
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0108 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0091 0.2915
Loa Loa (eye worm) hypothetical protein 0.0018 0.0072 0.0068
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0072 0.6617
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0183 0.0361
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0108 0.0105
Loa Loa (eye worm) hypothetical protein 0.0052 0.028 0.0277
Trypanosoma cruzi FHA domain containing protein, putative 0.001 0.0024 0.0045
Schistosoma mansoni DNA ligase IV 0.001 0.0024 0.0072
Leishmania major malonyl-coa decarboxylase-like protein 0.0642 0.3907 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0807 0.4924 1
Entamoeba histolytica Ran family GTPase 0.0021 0.0091 0.1512
Brugia malayi TAR-binding protein 0.0062 0.0343 0.034
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.002
Loa Loa (eye worm) hypothetical protein 0.0034 0.0172 0.0168
Echinococcus multilocularis expressed protein 0.0008 0.0015 0.0019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0238 0.0942
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.1633 1 1
Brugia malayi Nematode astacin protease protein 30 0.0007 0.0006 0.0003
Loa Loa (eye worm) hypothetical protein 0.005 0.0268 0.0265
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0024 0.0934
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.0566 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0072 0.5051
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0006 0.0546
Trichomonas vaginalis ferritin, putative 0.0008 0.0015 0.0551
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0343 0.034
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.006 0.0219
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0024 0.0072
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0183 0.0722
Leishmania major importin beta-1 subunit, putative 0.0023 0.0103 0.025
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0238 0.0471
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.002
Onchocerca volvulus 0.0007 0.0006 0.0184
Brugia malayi Fibulin-1 precursor 0.0018 0.0074 0.007
Echinococcus granulosus snurportin 1 0.03 0.1808 0.7328
Schistosoma mansoni apoferritin-2 0.0008 0.0015 0.0038
Schistosoma mansoni ferritin light chain 0.0008 0.0015 0.0038
Onchocerca volvulus 0.0029 0.0139 1
Brugia malayi astacin protease protein 30 0.0007 0.0006 0.0003
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0103 0.025
Brugia malayi Importin beta-1 subunit 0.0028 0.0136 0.0133
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0108 0.183
Loa Loa (eye worm) hypothetical protein 0.0028 0.0136 0.0133
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0108 0.183
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0091 0.0087
Onchocerca volvulus 0.001 0.0024 0.1485
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0006 0.0546
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0024 0.0934
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0006 0.0002
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.001 0.0024 0.1722

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.7 uM Inhibitory activity against procollagen C-Proteinase (PCP). ChEMBL. 11514144
IC50 (binding) = 1.7 uM Inhibitory activity against procollagen C-Proteinase (PCP). ChEMBL. 11514144

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.
 
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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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