Detailed information for compound 406161

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1600.82 | Formula: C71H101N21O18S2
  • H donors: 21 H acceptors: 19 LogP: -3.14 Rotable bonds: 27
    Rule of 5 violations (Lipinski): 4
  • SMILES: CC[C@@H]([C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C1CCc2c1cccc2)CCC(=O)N)CC(=O)O)Cc1c[nH]c2c1cccc2)C(=O)N[C@H](C(=O)N)[C@H](O)C)NC(=O)C)C
  • InChi: 1S/C71H101N21O18S2/c1-8-34(4)56(82-37(7)94)69(109)89-51-31-112-111-30-50(67(107)91-57(36(6)93)59(73)99)88-62(102)45(18-13-23-77-71(74)75)83-64(104)48(25-40-28-76-32-80-40)85-60(100)35(5)81-53(96)29-79-61(101)47(24-39-27-78-44-17-12-11-16-42(39)44)86-65(105)49(26-54(97)98)87-63(103)46(21-22-52(72)95)84-70(110)58(43-20-19-38-14-9-10-15-41(38)43)92-68(108)55(33(2)3)90-66(51)106/h9-12,14-17,27-28,32-36,43,45-51,55-58,78,93H,8,13,18-26,29-31H2,1-7H3,(H2,72,95)(H2,73,99)(H,76,80)(H,79,101)(H,81,96)(H,82,94)(H,83,104)(H,84,110)(H,85,100)(H,86,105)(H,87,103)(H,88,102)(H,89,109)(H,90,106)(H,91,107)(H,92,108)(H,97,98)(H4,74,75,77)/t34-,35-,36+,43?,45-,46-,47-,48+,49+,50-,51-,55-,56-,57-,58-/m0/s1
  • InChiKey: YYPFHDDBPCSRKO-FUQOBRPNSA-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 complement component 3 Starlite/ChEMBL References

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
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0181 0.0133
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0055 0.0006
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0117 0.0132
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.0965 0.1766
Schistosoma mansoni glutaminase 0.0286 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0647 0.0647
Loa Loa (eye worm) hypothetical protein 0.0007 0.0049 0.0049
Schistosoma mansoni macroglobulin/complement 0.0021 0.0549 0.0503
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0522 0.0476
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0522 0.0912
Brugia malayi nuclear receptor RXR 0.001 0.0141 0.0141
Schistosoma mansoni cpg binding protein 0.003 0.0884 0.084
Loa Loa (eye worm) hypothetical protein 0.001 0.0141 0.0141
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0049 0.0016
Loa Loa (eye worm) A-macroglobulin complement component family protein 0.0021 0.0549 0.0549
Loa Loa (eye worm) hypothetical protein 0.0008 0.0092 0.0092
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0522 0.0522
Trichomonas vaginalis conserved hypothetical protein 0.0153 0.524 0.5224
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0049 0.0546
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0049 0.0546
Loa Loa (eye worm) nuclear receptor nhr-7B 0.001 0.0141 0.0141
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0522 0.0522
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0522 0.0522
Loa Loa (eye worm) hypothetical protein 0.002 0.0522 0.0522
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0433 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0522 0.0522
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0049 0.0546
Loa Loa (eye worm) hypothetical protein 0.001 0.0141 0.0141
Schistosoma mansoni nuclear receptor 0.001 0.0141 0.0092
Loa Loa (eye worm) hypothetical protein 0.0018 0.0433 0.0433
Loa Loa (eye worm) hypothetical protein 0.001 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0018 0.0433 0.0433
Toxoplasma gondii peptidylprolyl isomerase 0.0033 0.0965 0.5407
Brugia malayi complement component C3-like protein 0.0008 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0008 0.0078 0.0078
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0522 0.0912
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0965 0.1766
Echinococcus granulosus netrin 1 0.0008 0.0092 0.0083
Brugia malayi steroid hormone receptor 0.002 0.0522 0.0522
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0398 0.6071
Loa Loa (eye worm) hypothetical protein 0.0007 0.0049 0.0049
Brugia malayi conserved hypotetical protein 0.001 0.0141 0.0141
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.001 0.0141 0.0939
Loa Loa (eye worm) hypothetical protein 0.0011 0.0181 0.0181
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0181 0.0181
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0522 0.0522
Echinococcus multilocularis expressed protein 0.0033 0.0993 0.182
Trichomonas vaginalis rotamase, putative 0.0033 0.0965 0.0936
Mycobacterium ulcerans hypothetical protein 0.0024 0.0647 0.0601
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.001 0.0141 0.0141
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0522 0.0912
Brugia malayi hypothetical protein 0.0011 0.0181 0.0181
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0141 0.0177
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0398 0.6071
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0522 0.0476
Loa Loa (eye worm) hypothetical protein 0.001 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0024 0.0647 0.0647
Schistosoma mansoni thyroid hormone receptor 0.002 0.0522 0.0476
Brugia malayi hypothetical protein 0.001 0.0141 0.0141
Brugia malayi CXXC zinc finger family protein 0.0029 0.0826 0.0826
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0522 0.0912
Loa Loa (eye worm) glutaminase 0.0286 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0433 0.0386
Mycobacterium ulcerans glutaminase 0.0286 1 1
Schistosoma mansoni netrin 0.0008 0.0092 0.0043
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0647 0.1153
Echinococcus multilocularis cpg binding protein 0.003 0.0884 0.161
Echinococcus multilocularis netrin 1 0.0008 0.0092 0.0083
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0049 0.0049
Brugia malayi nuclear hormone receptor 0.002 0.0522 0.0522
Entamoeba histolytica hypothetical protein, conserved 0.0153 0.524 1
Echinococcus granulosus expressed protein 0.0033 0.0993 0.182
Loa Loa (eye worm) hypothetical protein 0.001 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0008 0.0078 0.0078
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0993 0.0964
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0647 0.0647
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0141 0.0177
Schistosoma mansoni nuclear receptor nhr-48 0.001 0.0141 0.0092
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.001 0.0163 0.022
Loa Loa (eye worm) hypothetical protein 0.0011 0.0181 0.0181
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0522 0.0476
Schistosoma mansoni coup transcription factor 0.002 0.0522 0.0476
Loa Loa (eye worm) hypothetical protein 0.002 0.0522 0.0522
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0522 0.4837
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0522 0.0522
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0522 0.0522
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0522 0.0476
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0522 0.0522
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0522 0.0476
Brugia malayi nuclear hormone receptor family member nhr-6 0.001 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.001 0.0141 0.0141
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0049 0.0049
Schistosoma mansoni nuclear receptor 0.001 0.0141 0.0092
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0522 0.0522
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0826 0.0826
Onchocerca volvulus 0.001 0.0141 0.0939
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0522 0.0912
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0522 0.0522
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0141 0.0177
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0049 0.0049
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0141 0.0177
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0647 0.1153
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0522 0.0522
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0522 0.0912
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0033 0.0993 0.0993
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0647 0.0601
Brugia malayi Unc-6 protein precursor 0.0008 0.0092 0.0092
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.001 0.0141 0.0092
Brugia malayi ecdysone receptor 0.001 0.0141 0.0141
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0033 0.0965 0.1766
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0049 0.0546
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.0181 0.0133
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0522 0.0522
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0522 0.0522
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0522 0.0522
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0049 0.0546
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0117 0.0132
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0181 0.0256
Echinococcus multilocularis cd109 antigen 0.002 0.0495 0.086
Loa Loa (eye worm) hypothetical protein 0.001 0.0141 0.0141
Brugia malayi nuclear receptor RXR 0.0011 0.0181 0.0181
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0647 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0141 0.0141
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0522 0.0476
Loa Loa (eye worm) nuclear hormone receptor 0.001 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.002 0.0522 0.0522
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0647 0.1153
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0522 0.0476
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0647 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0522 0.0522
Giardia lamblia Rrm3p helicase 0.0153 0.524 0.5
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.001 0.0163 0.5
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0055 0.0012
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1434 0.2669
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0522 0.0522
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0049 0.0546
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0181 0.0256
Schistosoma mansoni nuclear hormone receptor 0.002 0.0522 0.0476
Loa Loa (eye worm) hypothetical protein 0.0018 0.0433 0.0433
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0965 0.1766
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.001 0.0141 0.0177
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0647 0.0647
Schistosoma mansoni hypothetical protein 0.002 0.0495 0.0449
Schistosoma mansoni cpg binding protein 0.003 0.0884 0.084
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.001 0.0141 0.0177
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0647 0.0601
Schistosoma mansoni cpg binding protein 0.0029 0.0826 0.0781
Loa Loa (eye worm) hypothetical protein 0.002 0.0522 0.0522
Brugia malayi hypothetical protein 0.001 0.0141 0.0141
Brugia malayi ecdysteroid receptor 0.002 0.0522 0.0522
Loa Loa (eye worm) hypothetical protein 0.001 0.0141 0.0141
Onchocerca volvulus 0.0008 0.0092 0.0441
Schistosoma mansoni nuclear hormone receptor 0.001 0.0141 0.0092
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.001 0.0141 0.0939
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0153 0.524 1
Brugia malayi nuclear hormone receptor 0.001 0.0141 0.0141
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0522 0.0912
Loa Loa (eye worm) hypothetical protein 0.001 0.0141 0.0141
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0049 0.0546
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1434 0.2669
Echinococcus granulosus cpg binding protein 0.003 0.0884 0.161
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0522 0.0522
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1434 0.1434
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0055 0.0012
Onchocerca volvulus 0.0008 0.0078 0.0298
Onchocerca volvulus 0.0029 0.0826 0.7941
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0647 0.1153
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0049 0.0049
Echinococcus granulosus FTZ F1 alpha 0.002 0.0522 0.0912
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1434 0.1392
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0181 0.0181
Brugia malayi tailless protein 0.001 0.0141 0.0141
Brugia malayi A-macroglobulin complement component family protein 0.0021 0.0549 0.0549
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0018 0.0433 0.0433
Schistosoma mansoni hypothetical protein 0.0153 0.524 0.5217
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1434 0.1434
Brugia malayi hypothetical protein 0.001 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0011 0.0181 0.0181
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.001 0.0163 0.022
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0522 0.0912
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1976 0.1937
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.001 0.0141 0.0092
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0055 0.0012
Trichomonas vaginalis rotamase, putative 0.0033 0.0993 0.0964
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0033 0.0993 0.0993
Brugia malayi nuclear hormone receptor family member odr-7 0.001 0.0141 0.0141
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0522 0.0476
Trichomonas vaginalis glutaminase, putative 0.0286 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0141 0.0141
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.001 0.0163 0.0673
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0049 0.0049
Onchocerca volvulus 0.0034 0.1028 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0647 0.0601
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0647 0.1153
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0153 0.524 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0141 0.0141
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1434 0.1392
Schistosoma mansoni thyroid hormone receptor 0.002 0.0522 0.0476
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0433 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0647 0.0601
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0647 0.0601
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0522 0.0912
Echinococcus granulosus cd109 antigen 0.002 0.0495 0.086
Loa Loa (eye worm) glutaminase 2 0.0286 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0055 0.0012
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0522 0.0476
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0398 0.6071
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0522 0.4837
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0049 0.0546
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0117 0.0117
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0522 0.0912
Loa Loa (eye worm) hypothetical protein 0.0018 0.0433 0.0433
Loa Loa (eye worm) hypothetical protein 0.002 0.0522 0.0522
Onchocerca volvulus 0.001 0.0141 0.0944
Brugia malayi nuclear receptor NHR-88 0.002 0.0522 0.0522
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0153 0.524 1
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0522 0.0912
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0522 0.0522
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0647 0.1153
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0113 0.0113
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0153 0.524 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0522 0.0522
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0153 0.524 1
Schistosoma mansoni netrin 0.0008 0.0092 0.0043
Brugia malayi nuclear receptor NHR-67 0.001 0.0141 0.0141
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0522 0.0522
Schistosoma mansoni nuclear hormone receptor 0.001 0.0141 0.0092
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0647 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.001 0.0163 0.022
Entamoeba histolytica DNA repair and recombination protein, putative 0.0153 0.524 1
Loa Loa (eye worm) DR-78 0.001 0.0141 0.0141
Brugia malayi nuclear receptor NHR-88 0.001 0.0141 0.0141
Onchocerca volvulus 0.002 0.0522 0.4837
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0522 0.0912
Loa Loa (eye worm) hypothetical protein 0.0024 0.0647 0.0647
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1434 0.2669
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0049 0.0546
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1434 0.1392
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0398 0.6071
Onchocerca volvulus 0.001 0.0141 0.0939
Brugia malayi Nuclear hormone receptor E75 0.001 0.0141 0.0141
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0522 0.0522
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0153 0.524 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0141 0.0177
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0522 0.0522
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0522 0.0912
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0522 0.0912
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0049 0.0546
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0522 0.4837
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0522 0.0522
Loa Loa (eye worm) hypothetical protein 0.002 0.0522 0.0522
Loa Loa (eye worm) nuclear receptor NHR-67 0.001 0.0141 0.0141
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0522 0.0912
Echinococcus multilocularis nuclear receptor nhr 48 0.001 0.0141 0.0177
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0049 0.0049
Brugia malayi hypothetical protein 0.0011 0.0181 0.0181
Schistosoma mansoni rotamase 0.0033 0.0993 0.0949
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0647 0.0647
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0049 0.0546
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.1744 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0522 0.0522
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.002 0.0522 0.0522
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0522 0.0912
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0153 0.524 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0647 1
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0049 0.0049
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0153 0.524 1
Echinococcus granulosus nuclear receptor nhr 48 0.001 0.0141 0.0177
Schistosoma mansoni zinc finger protein 0.001 0.0141 0.0092
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0647 0.0601
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0522 0.0912
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0522 0.0522
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0049 0.0016
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0153 0.524 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0433 0.6617
Brugia malayi orphan nuclear receptor NR2E1 0.001 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0011 0.0181 0.0181
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0647 0.0601
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0141 0.0177
Echinococcus granulosus thyroid hormone receptor alpha 0.001 0.0141 0.0177
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0033 0.0965 0.1766
Onchocerca volvulus 0.0024 0.0647 0.6112
Loa Loa (eye worm) hypothetical protein 0.0011 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.001 0.0141 0.0141
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0433 0.5
Brugia malayi Nuclear hormone receptor E75 0.001 0.0141 0.0141
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.001 0.0141 0.0177
Loa Loa (eye worm) hypothetical protein 0.001 0.0141 0.0141
Loa Loa (eye worm) oxidoreductase 0.0007 0.0049 0.0049
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1434 0.2669
Echinococcus multilocularis alpha 2 macroglobulin 0.0021 0.0549 0.0965
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.001 0.0163 0.022

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 39 uM Inhibitory concentration for human complement component C3 activation relative to compstatin ChEMBL. 15634022
Activity (binding) = 39 uM Inhibitory concentration for human complement component C3 activation relative to compstatin ChEMBL. 15634022
IC50 (binding) = 1.4 uM Inhibitory concentration for human complement component C3 activation ChEMBL. 15634022
IC50 (binding) = 1.4 uM Inhibitory concentration for human complement component C3 activation ChEMBL. 15634022

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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