Detailed information for compound 408331

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1629.79 | Formula: C70H80N14O22S5
  • H donors: 10 H acceptors: 18 LogP: 3.06 Rotable bonds: 23
    Rule of 5 violations (Lipinski): 4
  • SMILES: COCCOCCOCCOCCNC(=O)[C@@H](NC(=O)c1csc(n1)c1nc2c3csc(n3)[C@@H]3COC(=O)c4c5CO[C@@H]([C@@H](c6nc(C(=O)N3)cs6)NC(=O)c3nc(/C(=C(\OC)/C)/NC(=O)[C@@H](NC(=O)c6nc(c2cc1O)sc6)[C@H](O)C)sc3)[C@H](O[C@@H]1O[C@@H](C)[C@H]([C@@](C1)(C)O)N(C)C)C(=O)OCc1c5c(n4O)ccc1)C
  • InChi: 1S/C70H80N14O22S5/c1-31(57(87)71-13-14-99-17-18-101-20-19-100-16-15-97-8)72-58(88)40-28-110-66(77-40)51-45(86)21-36-50(79-51)39-26-108-64(74-39)38-25-104-68(93)53-37-24-102-54(55(106-46-22-70(5,95)56(83(6)7)34(4)105-46)69(94)103-23-35-11-10-12-44(47(35)37)84(53)96)52(67-78-41(29-111-67)59(89)73-38)82-61(91)43-30-109-65(76-43)49(33(3)98-9)81-62(92)48(32(2)85)80-60(90)42-27-107-63(36)75-42/h10-12,21,26-32,34,38,46,48,52,54-56,85-86,95-96H,13-20,22-25H2,1-9H3,(H,71,87)(H,72,88)(H,73,89)(H,80,90)(H,81,92)(H,82,91)/b49-33+/t31-,32+,34-,38-,46-,48-,52-,54-,55-,56+,70-/m0/s1
  • InChiKey: KRKVGQHYRSDOKZ-VXPKQNOFSA-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 survival motor neuron protein 1 0.0213 0.281 0.281
Giardia lamblia Cathepsin B precursor 0.0127 0.1493 0.5
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0686 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0686 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0686 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0686 1 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0127 0.1493 0.1493
Brugia malayi conserved hypotetical protein 0.003 0.002 0.002
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0063 0.0527 0.0527
Schistosoma mansoni cathepsin S (C01 family) 0.0127 0.1493 0.1493
Echinococcus multilocularis Nuclear hormone receptor HR96 0.003 0.002 0.002
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0063 0.0527 0.0527
Leishmania major cathepsin L-like protease 0.0686 1 1
Entamoeba histolytica cysteine proteinase 2 0.0353 0.4942 0.4054
Trypanosoma cruzi cysteine proteinase, putative 0.0353 0.4942 0.4054
Brugia malayi Cathepsin L-like precursor 0.0686 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0063 0.0527 0.0527
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0063 0.0527 0.0527
Giardia lamblia Cysteine protease 0.0127 0.1493 0.5
Onchocerca volvulus Cathepsin L homolog 0.0686 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0686 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.003 0.002 0.002
Brugia malayi Cathepsin L-like precursor 0.0459 0.6551 0.6551
Schistosoma mansoni nuclear hormone receptor 0.0063 0.0527 0.0527
Loa Loa (eye worm) hypothetical protein 0.009 0.0935 0.0935
Plasmodium vivax unspecified product 0.0227 0.3016 0.1791
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0686 1 1
Echinococcus multilocularis cysteine protease 0.0686 1 1
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0127 0.1493 0.5
Schistosoma mansoni hypothetical protein 0.0061 0.0502 0.0502
Brugia malayi Papain family cysteine protease containing protein 0.0127 0.1493 0.1493
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0459 0.6551 0.5946
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.002
Brugia malayi cathepsin F-like cysteine proteinase 0.0227 0.3016 0.3016
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.002
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0063 0.0527 0.0527
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0075 0.0707 0.0707
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.003 0.002 0.002
Brugia malayi Cathepsin L-like precursor 0.0686 1 1
Leishmania major cysteine peptidase A (CPA) 0.0686 1 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.1493 0.1493
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0033 0.0074 0.0074
Onchocerca volvulus Bile acid receptor homolog 0.0063 0.0527 0.0508
Giardia lamblia Cathepsin B precursor 0.0127 0.1493 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.0527 0.0527
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0063 0.0527 0.0527
Echinococcus granulosus Nuclear hormone receptor HR96 0.003 0.002 0.002
Giardia lamblia Cathepsin B precursor 0.0127 0.1493 0.5
Giardia lamblia Cathepsin B precursor 0.0127 0.1493 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0686 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0063 0.0527 0.0527
Loa Loa (eye worm) hypothetical protein 0.0127 0.1493 0.1493
Entamoeba histolytica cysteine proteinase, putative 0.0686 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0127 0.1493 0.1493
Loa Loa (eye worm) hypothetical protein 0.0227 0.3016 0.3016
Loa Loa (eye worm) hypothetical protein 0.0063 0.0527 0.0527
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0063 0.0527 0.0527
Brugia malayi cathepsin Z-like cysteine proteinase 0.0127 0.1493 0.1493
Toxoplasma gondii cathepsin CPL 0.0686 1 1
Entamoeba histolytica cysteine protease, putative 0.0353 0.4942 0.4054
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0033 0.0074 0.0074
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.003 0.002 0.002
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0353 0.4942 0.4942
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0353 0.4942 0.4054
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0063 0.0527 0.0527
Brugia malayi nuclear receptor RXR 0.003 0.002 0.002
Brugia malayi Nuclear hormone receptor E75 0.003 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0127 0.1493 0.1493
Echinococcus granulosus cathepsin L cysteine proteinase 0.0686 1 1
Brugia malayi hypothetical protein 0.0033 0.0074 0.0074
Onchocerca volvulus Cathepsin L homolog 0.0686 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0063 0.0527 0.0527
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0686 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0127 0.1493 0.1493
Echinococcus granulosus cathepsin l1 0.0459 0.6551 0.6551
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0063 0.0527 0.0527
Brugia malayi Steroid receptor seven-up type 2 0.0063 0.0527 0.0527
Brugia malayi ecdysone receptor 0.003 0.002 0.002
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0033 0.0074 0.0074
Schistosoma mansoni thyroid hormone receptor 0.0063 0.0527 0.0527
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.002
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0127 0.1493 0.1493
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.002 0.002
Giardia lamblia Cathepsin L precursor 0.0127 0.1493 0.5
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0353 0.4942 0.4942
Entamoeba histolytica cysteine protease, putative 0.0353 0.4942 0.4054
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.003 0.002 0.002
Brugia malayi Calcitonin receptor-like protein seb-1 0.009 0.0935 0.0935
Entamoeba histolytica cysteine protease, putative 0.0353 0.4942 0.4054
Plasmodium vivax vivapain-1 0.0353 0.4942 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0127 0.1493 0.1493
Leishmania major cathepsin L-like protease 0.0686 1 1
Schistosoma mansoni nuclear receptor 0.003 0.002 0.002
Brugia malayi nuclear receptor RXR 0.0033 0.0074 0.0074
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0127 0.1493 0.1493
Brugia malayi nuclear hormone receptor family member nhr-6 0.003 0.002 0.002
Brugia malayi nuclear hormone receptor family member odr-7 0.003 0.002 0.002
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0686 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0127 0.1493 0.1493
Brugia malayi Cathepsin L-like precursor 0.0227 0.3016 0.3016
Onchocerca volvulus Protein ultraspiracle homolog 0.0063 0.0527 0.0508
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0063 0.0527 0.0527
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0127 0.1493 0.1493
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0063 0.0527 0.0527
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0063 0.0527 0.0527
Entamoeba histolytica cysteine protease, putative 0.0353 0.4942 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0686 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0459 0.6551 0.6551
Plasmodium falciparum cysteine proteinase falcipain 1 0.0353 0.4942 0.4054
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0127 0.1493 0.5
Onchocerca volvulus 0.0686 1 1
Plasmodium vivax vivapain-2 0.0686 1 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0502 0.0502
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0686 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0063 0.0527 0.0527
Schistosoma mansoni retinoic acid receptor RXR 0.0063 0.0527 0.0527
Brugia malayi nuclear receptor NHR-67 0.003 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.002
Brugia malayi nuclear hormone receptor 0.003 0.002 0.002
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0127 0.1493 0.1493
Leishmania major cathepsin L-like protease 0.0686 1 1
Onchocerca volvulus 0.0686 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0127 0.1493 0.1493
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0686 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0686 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.003 0.002 0.002
Brugia malayi Cathepsin L-like precursor 0.0686 1 1
Giardia lamblia Cathepsin B precursor 0.0127 0.1493 0.5
Trypanosoma cruzi cysteine protease, putative 0.0353 0.4942 0.4054
Onchocerca volvulus 0.0127 0.1493 0.1476
Loa Loa (eye worm) MH2 domain-containing protein 0.0108 0.1204 0.1204
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0686 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.003 0.002 0.002
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0063 0.0527 0.0527
Trypanosoma cruzi cysteine peptidase, putative 0.0686 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.003 0.002 0.002
Entamoeba histolytica cysteine protease, putative 0.0353 0.4942 0.4054
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.002
Schistosoma mansoni cathepsin F (C01 family) 0.0459 0.6551 0.6551
Echinococcus granulosus cathepsin b 0.0127 0.1493 0.1493
Echinococcus granulosus cysteine protease 0.0353 0.4942 0.4942
Entamoeba histolytica cysteine proteinase, putative 0.0459 0.6551 0.5946
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0127 0.1493 0.1493
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0063 0.0527 0.0527
Plasmodium vivax unspecified product 0.0353 0.4942 0.4054
Echinococcus multilocularis L aminoadipate semialdehyde 0.0075 0.0707 0.0707
Loa Loa (eye worm) steroid hormone receptor 0.0063 0.0527 0.0527
Echinococcus granulosus nuclear receptor nhr 48 0.003 0.002 0.002
Trypanosoma cruzi cysteine peptidase, putative 0.0686 1 1
Entamoeba histolytica cysteine protease, putative 0.0353 0.4942 0.4054
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0063 0.0527 0.0527
Trypanosoma cruzi cysteine peptidase, putative 0.0686 1 1
Leishmania major cathepsin L-like protease 0.0686 1 1
Giardia lamblia Cathepsin B precursor 0.0127 0.1493 0.5
Leishmania major cathepsin L-like protease 0.0686 1 1
Brugia malayi Cathepsin L-like precursor 0.0686 1 1
Brugia malayi Cathepsin L-like precursor 0.0459 0.6551 0.6551
Echinococcus granulosus thyroid hormone receptor alpha 0.003 0.002 0.002
Echinococcus granulosus Nuclear hormone receptor HR96 0.003 0.002 0.002
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0127 0.1493 0.1493
Brugia malayi Papain family cysteine protease containing protein 0.0686 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0686 1 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0075 0.0707 0.0707
Loa Loa (eye worm) DR-78 0.003 0.002 0.002
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0127 0.1493 0.1493
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0063 0.0527 0.0527
Loa Loa (eye worm) hypothetical protein 0.0063 0.0527 0.0527
Entamoeba histolytica cysteine protease, putative 0.0686 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0686 1 1
Brugia malayi hypothetical protein 0.0033 0.0074 0.0074
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0686 1 1
Brugia malayi cathepsin L-like precursor 0.0459 0.6551 0.6551
Onchocerca volvulus 0.0043 0.0229 0.0209
Schistosoma mansoni cathepsin s 0.0227 0.3016 0.3016
Trypanosoma cruzi cruzipain precursor, putative 0.0227 0.3016 0.1791
Brugia malayi cathepsin L precursor 0.0127 0.1493 0.1493
Echinococcus granulosus FTZ F1 alpha 0.0063 0.0527 0.0527
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0063 0.0527 0.0527
Giardia lamblia Cathepsin L-like protease 0.0127 0.1493 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0063 0.0527 0.0527
Giardia lamblia Cysteine protease 0.0127 0.1493 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0063 0.0527 0.0527
Trypanosoma cruzi cysteine peptidase, putative 0.0353 0.4942 0.4054
Entamoeba histolytica cysteine protease, putative 0.0353 0.4942 0.4054
Loa Loa (eye worm) cysteine protease 0.0686 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0686 1 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0127 0.1493 0.1493
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0353 0.4942 0.4054
Loa Loa (eye worm) hypothetical protein 0.0127 0.1493 0.1493
Brugia malayi Nuclear hormone receptor-like 1 0.0033 0.0074 0.0074
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0686 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.003 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0063 0.0527 0.0527
Entamoeba histolytica cysteine protease, putative 0.0353 0.4942 0.4054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0063 0.0527 0.0527
Onchocerca volvulus 0.0686 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0686 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0063 0.0527 0.0527
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0686 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0063 0.0527 0.0527
Loa Loa (eye worm) fibroinase 0.0686 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0353 0.4942 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0353 0.4942 0.4054
Brugia malayi cathepsin F-like cysteine proteinase 0.0127 0.1493 0.1493
Giardia lamblia Cathepsin B precursor 0.0127 0.1493 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0063 0.0527 0.0527
Giardia lamblia Cathepsin L precursor 0.0127 0.1493 0.5
Echinococcus multilocularis cathepsin b 0.0127 0.1493 0.1493
Loa Loa (eye worm) nuclear hormone receptor 0.003 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0459 0.6551 0.6551
Brugia malayi Nuclear hormone receptor E75 0.003 0.002 0.002
Giardia lamblia Cathepsin L precursor 0.0127 0.1493 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0686 1 1
Brugia malayi cathepsin B-like cysteine proteinase 0.0127 0.1493 0.1493
Entamoeba histolytica cysteine protease, putative 0.0353 0.4942 0.4054
Brugia malayi cathepsin L-like cysteine proteinase 0.0127 0.1493 0.1493
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0686 1 1
Schistosoma mansoni hypothetical protein 0.0043 0.0229 0.0229
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0127 0.1493 0.1493
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0686 1 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0227 0.3016 0.3016
Brugia malayi tailless protein 0.003 0.002 0.002
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0686 1 1
Giardia lamblia Cysteine protease 0.0127 0.1493 0.5
Brugia malayi hypothetical protein 0.0213 0.281 0.281
Echinococcus multilocularis cathepsin L cysteine protease 0.0686 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0686 1 1
Onchocerca volvulus 0.0686 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0063 0.0527 0.0527
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.003 0.002 0.002
Brugia malayi nuclear hormone receptor 0.0063 0.0527 0.0527
Brugia malayi fibroinase precursor 0.0127 0.1493 0.1493
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0127 0.1493 0.5
Plasmodium vivax vivapain-3 0.0353 0.4942 0.4054
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0127 0.1493 0.1493
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0686 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0686 1 1
Giardia lamblia Encystation-specific protease 0.0127 0.1493 0.5
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0686 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0353 0.4942 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0686 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0459 0.6551 0.5946
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0063 0.0527 0.0527
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0063 0.0527 0.0527
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0063 0.0527 0.0527
Loa Loa (eye worm) hypothetical protein 0.0213 0.281 0.281
Loa Loa (eye worm) hypothetical protein 0.0227 0.3016 0.3016
Echinococcus granulosus cathepsin L 0.0353 0.4942 0.4942
Entamoeba histolytica cysteine proteinase 1, putative 0.0353 0.4942 0.4054
Entamoeba histolytica cysteine protease, putative 0.0353 0.4942 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0686 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0063 0.0527 0.0527
Echinococcus multilocularis nuclear receptor nhr 48 0.003 0.002 0.002
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0686 1 1
Giardia lamblia Cathepsin L precursor 0.0127 0.1493 0.5
Loa Loa (eye worm) hypothetical protein 0.0127 0.1493 0.1493
Brugia malayi MH2 domain containing protein 0.0108 0.1204 0.1204
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Brugia malayi steroid hormone receptor 0.0063 0.0527 0.0527
Brugia malayi Papain family cysteine protease containing protein 0.0127 0.1493 0.1493
Brugia malayi photoreceptor-specific nuclear receptor 0.0063 0.0527 0.0527
Echinococcus granulosus cathepsin L cysteine protease 0.0353 0.4942 0.4942
Entamoeba histolytica cysteine proteinase, putative 0.0353 0.4942 0.4054
Schistosoma mansoni coup transcription factor 0.0063 0.0527 0.0527
Brugia malayi Papain family cysteine protease containing protein 0.0353 0.4942 0.4942
Loa Loa (eye worm) hypothetical protein 0.0075 0.0707 0.0707
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0063 0.0527 0.0527
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0686 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0127 0.1493 0.1493
Onchocerca volvulus 0.0063 0.0527 0.0508
Entamoeba histolytica cysteine protease, putative 0.0353 0.4942 0.4054
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0043 0.0229 0.0229
Loa Loa (eye worm) pigment dispersing factor receptor c 0.009 0.0935 0.0935
Schistosoma mansoni nuclear hormone receptor 0.003 0.002 0.002
Onchocerca volvulus 0.0686 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0063 0.0527 0.0527
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.009 0.0935 0.0935
Brugia malayi ecdysteroid receptor 0.0063 0.0527 0.0527
Echinococcus multilocularis ecdysone induced protein 78C 0.0063 0.0527 0.0527
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0127 0.1493 0.1493
Giardia lamblia Cathepsin L-like protease 0.0127 0.1493 0.5
Plasmodium vivax vivapain-2 0.0686 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0527 0.0527
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0127 0.1493 0.1493
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.002
Entamoeba histolytica cysteine protease, putative 0.0353 0.4942 0.4054
Brugia malayi cathepsin Z-like cysteine proteinase 0.0127 0.1493 0.1493
Schistosoma mansoni cathepsin F (C01 family) 0.0686 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0353 0.4942 0.4942
Loa Loa (eye worm) hypothetical protein 0.0063 0.0527 0.0527
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0063 0.0527 0.0527
Giardia lamblia Hypothetical protein 0.0127 0.1493 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0353 0.4942 0.4054
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.002
Plasmodium falciparum cysteine proteinase falcipain 3 0.0686 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0063 0.0527 0.0527
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0686 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.003 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Giardia lamblia Cathepsin L precursor 0.0127 0.1493 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0063 0.0527 0.0527
Brugia malayi Cathepsin L-like precursor 0.0686 1 1
Schistosoma mansoni cathepsin B (C01 family) 0.0127 0.1493 0.1493
Leishmania major cathepsin L-like protease 0.0686 1 1
Brugia malayi nuclear receptor NHR-88 0.003 0.002 0.002
Entamoeba histolytica cysteine proteinase, putative 0.0353 0.4942 0.4054
Loa Loa (eye worm) ctsf protein 0.0686 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Echinococcus multilocularis thyroid hormone receptor alpha 0.0063 0.0527 0.0527
Echinococcus granulosus cathepsin b 0.0127 0.1493 0.1493
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0686 1 1
Onchocerca volvulus 0.0075 0.0707 0.0689
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0033 0.0074 0.0074
Trypanosoma cruzi cysteine peptidase, putative 0.0227 0.3016 0.1791
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.002
Leishmania major cathepsin L-like protease 0.0686 1 1
Echinococcus granulosus cathepsin L 0.0127 0.1493 0.1493
Echinococcus multilocularis cathepsin b 0.0127 0.1493 0.1493
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0686 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0686 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0527 0.0527
Leishmania major cathepsin L-like protease 0.0686 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0686 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0686 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Onchocerca volvulus Cathepsin L homolog 0.0127 0.1493 0.1476
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0227 0.3016 0.3016
Loa Loa (eye worm) hypothetical protein 0.0686 1 1
Brugia malayi nuclear receptor NHR-88 0.0063 0.0527 0.0527
Echinococcus granulosus survival motor neuron protein 1 0.0213 0.281 0.281
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.002
Trypanosoma cruzi cysteine proteinase, putative 0.0353 0.4942 0.4054
Loa Loa (eye worm) transcription factor SMAD2 0.0108 0.1204 0.1204
Loa Loa (eye worm) nuclear receptor nhr-7B 0.003 0.002 0.002
Giardia lamblia Cathepsin L precursor 0.0127 0.1493 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0686 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0459 0.6551 0.5946
Brugia malayi Papain family cysteine protease containing protein 0.0353 0.4942 0.4942
Giardia lamblia Cathepsin B precursor 0.0127 0.1493 0.5
Schistosoma mansoni cathepsin C 0.0127 0.1493 0.1493
Schistosoma mansoni zinc finger protein 0.003 0.002 0.002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0063 0.0527 0.0527
Onchocerca volvulus Cathepsin F homolog 0.0686 1 1
Echinococcus multilocularis cathepsin L 0.0127 0.1493 0.1493
Schistosoma mansoni nuclear receptor 0.003 0.002 0.002
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0353 0.4942 0.4054
Trypanosoma cruzi cruzipain precursor, putative 0.0686 1 1
Schistosoma mansoni thyroid hormone receptor 0.0063 0.0527 0.0527
Giardia lamblia Hypothetical protein 0.0127 0.1493 0.5
Brugia malayi hypothetical protein 0.003 0.002 0.002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0063 0.0527 0.0527
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0686 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0061 0.0502 0.0502
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0127 0.1493 0.5
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0075 0.0707 0.0707
Echinococcus multilocularis cysteine protease 0.0686 1 1
Echinococcus multilocularis cathepsin L 0.0353 0.4942 0.4942
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.002
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0063 0.0527 0.0527
Onchocerca volvulus 0.0459 0.6551 0.6544
Loa Loa (eye worm) cathepsin B 0.0127 0.1493 0.1493
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0686 1 1
Loa Loa (eye worm) hypothetical protein 0.0227 0.3016 0.3016
Onchocerca volvulus 0.0686 1 1
Loa Loa (eye worm) hypothetical protein 0.0459 0.6551 0.6551
Brugia malayi Nuclear hormone receptor-like 1 0.0033 0.0074 0.0074
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0063 0.0527 0.0508
Giardia lamblia Cysteine protease 0.0127 0.1493 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0686 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0527 0.0527
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0063 0.0527 0.0527
Loa Loa (eye worm) hypothetical protein 0.0459 0.6551 0.6551
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0686 1 1
Schistosoma mansoni nuclear hormone receptor 0.003 0.002 0.002
Echinococcus multilocularis cathepsin L cysteine protease 0.0686 1 1
Onchocerca volvulus 0.0686 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0127 0.1493 0.1493
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.002
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0063 0.0527 0.0527
Trypanosoma cruzi cysteine peptidase, putative 0.0686 1 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.1493 0.1493
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.002
Schistosoma mansoni survival motor neuron protein 0.0043 0.0229 0.0229
Echinococcus granulosus cathepsin l1 0.0686 1 1
Entamoeba histolytica cysteine protease, putative 0.0353 0.4942 0.4054
Brugia malayi hypothetical protein 0.003 0.002 0.002
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0063 0.0527 0.0527
Entamoeba histolytica cysteine proteinase, putative 0.0686 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0063 0.0527 0.0527
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0063 0.0527 0.0527

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.003 ug ml-1 Antibacterial activity against pencillin resistant Streptococcus pneumoniae A28272 ChEMBL. 16621551
MIC (functional) = 0.06 ug ml-1 Antibacterial activity against methicillin-sensitive Staphylococcus aureus A15090 ChEMBL. 16621551
MIC (functional) = 0.5 ug ml-1 Antibacterial activity against methicillin-sensitive Enterococcus faecalis A20688 ChEMBL. 16621551
PD50 (functional) Activity against Staphylococcus aureus A15090 infected ICR mouse after 8 days ChEMBL. 16621551
PD50 (functional) 0 Activity against Staphylococcus aureus A15090 infected ICR mouse after 8 days ChEMBL. 16621551
Solubility 0 Solubility of the compound ChEMBL. 16621551

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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