Detailed information for compound 400761

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1386.89 | Formula: C72H76ClN11O16
  • H donors: 15 H acceptors: 14 LogP: 3.56 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 4
  • SMILES: CNC(C(=O)NC1C(=O)NC(CC(=O)N)C(=O)NC2C(=O)NC3c4ccc(c(c4)c4c(cc(c(c4O)CN4CCN(CC4)Cc4ccc(cc4)c4ccccc4)O)[C@@H](NC(=O)C(NC3=O)C(O)c3ccc(Oc4cc2cc(Oc2ccc(C1O)cc2Cl)c4O)cc3)C(=O)NC)O)CC(C)C
  • InChi: 1S/C72H76ClN11O16/c1-35(2)26-48(75-3)66(92)81-61-63(89)41-17-21-52(47(73)28-41)100-54-30-42-29-53(65(54)91)99-43-18-14-39(15-19-43)62(88)60-72(98)80-59(68(94)76-4)45-31-51(86)46(34-84-24-22-83(23-25-84)33-36-10-12-38(13-11-36)37-8-6-5-7-9-37)64(90)56(45)44-27-40(16-20-50(44)85)57(69(95)82-60)79-70(96)58(42)78-67(93)49(32-55(74)87)77-71(61)97/h5-21,27-31,35,48-49,57-63,75,85-86,88-91H,22-26,32-34H2,1-4H3,(H2,74,87)(H,76,94)(H,77,97)(H,78,93)(H,79,96)(H,80,98)(H,81,92)(H,82,95)/t48?,49?,57?,58?,59-,60?,61?,62?,63?/m1/s1
  • InChiKey: VEXBYERNVCHIIZ-HLHVPSEBSA-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
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0285 0.0687
Loa Loa (eye worm) hypothetical protein 0.0015 0.0045 0.0106
Loa Loa (eye worm) hypothetical protein 0.0015 0.0045 0.0106
Echinococcus granulosus nuclear receptor nhr 48 0.0015 0.0045 0.0044
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0049 0.0115
Schistosoma mansoni steroid hormone receptor ad4bp 0.0032 0.0164 0.0119
Brugia malayi Melibiase family protein 0.0074 0.0461 0.1109
Loa Loa (eye worm) hypothetical protein 0.0017 0.0058 0.0137
Loa Loa (eye worm) hypothetical protein 0.0257 0.1745 0.4198
Echinococcus granulosus ecdysone induced protein 78C 0.0032 0.0164 0.0163
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0032 0.0164 0.0394
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0025 0.0118 0.1011
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0379 0.091
Brugia malayi Protein kinase domain containing protein 0.0023 0.0104 0.025
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.009 0.0574 0.1382
Echinococcus granulosus Nuclear hormone receptor HR96 0.0015 0.0045 0.0044
Entamoeba histolytica hypothetical protein 0.0035 0.0189 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0164 0.0392
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.0118 1
Loa Loa (eye worm) nuclear hormone receptor 0.0015 0.0045 0.0106
Onchocerca volvulus Bile acid receptor homolog 0.0032 0.0164 0.2242
Schistosoma mansoni cpg binding protein 0.003 0.015 0.0105
Brugia malayi Cytochrome P450 family protein 0.0013 0.0033 0.0079
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0118 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0176 0.0421
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0025 0.0118 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0138 0.0332
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0379 0.0335
Echinococcus granulosus netrin receptor unc 5 0.0023 0.0104 0.0103
Loa Loa (eye worm) hypothetical protein 0.0017 0.0058 0.0137
Schistosoma mansoni netrin receptor unc5 0.0023 0.0104 0.0059
Schistosoma mansoni retinoic acid receptor RXR 0.0032 0.0164 0.0119
Echinococcus multilocularis GPCR, family 2 0.0016 0.0049 0.0048
Loa Loa (eye worm) hypothetical protein 0.0049 0.0285 0.0685
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.0599 0.4155 0.4154
Brugia malayi steroid hormone receptor 0.0032 0.0164 0.0394
Schistosoma mansoni hypothetical protein 0.0016 0.0049 0.0004
Entamoeba histolytica hypothetical protein 0.0035 0.0189 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0045 0.0106
Schistosoma mansoni hypothetical protein 0.0052 0.0307 0.0264
Echinococcus multilocularis netrin receptor unc 5 0.0023 0.0104 0.0103
Entamoeba histolytica hypothetical protein 0.0035 0.0189 1
Brugia malayi Nuclear hormone receptor E75 0.0015 0.0045 0.0108
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0189 0.0188
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0032 0.0164 0.0392
Echinococcus multilocularis survival motor neuron protein 1 0.0257 0.1745 0.1744
Loa Loa (eye worm) hypothetical protein 0.0015 0.0045 0.0106
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0016 0.005 0.0005
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0013
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0164 0.0163
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0015 0.0045 0.0108
Schistosoma mansoni hypothetical protein 0.0035 0.0189 0.0145
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0111 0.0721 0.0679
Brugia malayi hypothetical protein 0.0015 0.0045 0.0108
Echinococcus granulosus L aminoadipate semialdehyde 0.009 0.0574 0.0573
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0074 0.0461 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.0049 0.0004
Onchocerca volvulus 0.0028 0.0138 0.1767
Onchocerca volvulus 0.009 0.0574 1
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0164 0.0394
Schistosoma mansoni microtubule-associated protein tau 0.1429 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0104 0.0248
Loa Loa (eye worm) CYP4Cod1 0.0013 0.0033 0.0078
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0015 0.0045 0.0044
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0164 0.0163
Echinococcus multilocularis dnaJ subfamily B 0.0403 0.2779 0.2778
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0379 0.0378
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0032 0.0164 0.0163
Schistosoma mansoni hypothetical protein 0.0599 0.4155 0.4128
Leishmania major phosphopantetheinyl transferase-like protein 0.0025 0.0118 1
Brugia malayi nuclear receptor NHR-88 0.0015 0.0045 0.0108
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0379 0.0335
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0025 0.0118 0.1011
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0032 0.0164 0.0163
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0032 0.0164 0.0163
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0285 0.0685
Echinococcus granulosus FTZ F1 alpha 0.0032 0.0164 0.0163
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0111 0.0721 0.0679
Schistosoma mansoni thyroid hormone receptor 0.0168 0.1125 0.1085
Loa Loa (eye worm) hypothetical protein 0.0017 0.0058 0.0137
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0317 0.0273
Brugia malayi Steroid receptor seven-up type 2 0.0032 0.0164 0.0394
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0032 0.0164 0.0163
Schistosoma mansoni cpg binding protein 0.003 0.015 0.0105
Echinococcus multilocularis cpg binding protein 0.003 0.015 0.0149
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0058 0.0013
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0015 0.0045 0.0044
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0049 0.0048
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0111 0.0721 0.0721
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0317 0.3978
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0015 0.0045 0.0044
Brugia malayi conserved hypotetical protein 0.0015 0.0045 0.0108
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0032 0.0164 0.0394
Schistosoma mansoni cpg binding protein 0.0028 0.0138 0.0094
Loa Loa (eye worm) hypothetical protein 0.0032 0.0164 0.0392
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0025 0.0118 1
Loa Loa (eye worm) steroid hormone receptor 0.0032 0.0164 0.0392
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0164 0.0394
Echinococcus multilocularis microtubule associated protein 2 0.1429 1 1
Onchocerca volvulus 0.0054 0.0317 0.5137
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0032 0.0164 0.0119
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0025 0.0118 0.5
Brugia malayi nuclear receptor NHR-88 0.0032 0.0164 0.0394
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0137 0.09 0.09
Brugia malayi Cytochrome P450 family protein 0.0013 0.0033 0.0079
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0049 0.0048
Brugia malayi hypothetical protein 0.0017 0.0058 0.0139
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0379 0.0335
Brugia malayi RNA binding protein 0.0062 0.0379 0.0912
Brugia malayi photoreceptor-specific nuclear receptor 0.0032 0.0164 0.0394
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.0599 0.4155 0.4154
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0023 0.0104 0.0103
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0074 0.0461 0.0418
Onchocerca volvulus Netrin receptor homolog 0.0023 0.0104 0.1111
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0033 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0017 0.0058 0.0013
Brugia malayi nuclear receptor RXR 0.0015 0.0045 0.0108
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0049 0.0048
Echinococcus granulosus tar DNA binding protein 0.0062 0.0379 0.0378
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0176 0.0423
Brugia malayi orphan nuclear receptor NR2E1 0.0015 0.0045 0.0108
Loa Loa (eye worm) nuclear receptor NHR-67 0.0015 0.0045 0.0106
Loa Loa (eye worm) hypothetical protein 0.0074 0.0461 0.1107
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0032 0.0164 0.0163
Loa Loa (eye worm) hypothetical protein 0.0032 0.0164 0.0392
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0164 0.0394
Loa Loa (eye worm) hypothetical protein 0.0015 0.0045 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0164 0.0394
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0379 0.0912
Loa Loa (eye worm) hypothetical protein 0.0015 0.0045 0.0106
Brugia malayi nuclear receptor RXR 0.0017 0.0058 0.0139
Brugia malayi nuclear hormone receptor 0.0015 0.0045 0.0108
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0362 0.0318
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0137 0.09 0.09
Echinococcus granulosus Nuclear hormone receptor HR96 0.0015 0.0045 0.0044
Echinococcus multilocularis FTZ F1 alpha 0.0032 0.0164 0.0163
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0033 0.5
Echinococcus multilocularis Ankyrin 0.0023 0.0104 0.0103
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0049 0.0048
Echinococcus multilocularis L aminoadipate semialdehyde 0.009 0.0574 0.0573
Echinococcus multilocularis nuclear receptor nhr 48 0.0015 0.0045 0.0044
Echinococcus granulosus tumor protein p63 0.0367 0.2519 0.2519
Brugia malayi CXXC zinc finger family protein 0.0028 0.0138 0.0333
Loa Loa (eye worm) RNA binding protein 0.0062 0.0379 0.091
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0049 0.0117
Brugia malayi Uncoordinated protein 44 0.0023 0.0104 0.025
Echinococcus granulosus death domain containing protein 0.0023 0.0104 0.0103
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0032 0.0164 0.0119
Brugia malayi tailless protein 0.0015 0.0045 0.0108
Brugia malayi ecdysteroid receptor 0.0032 0.0164 0.0394
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0025 0.0118 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0032 0.0164 0.0163
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0104 0.025
Brugia malayi Nuclear hormone receptor E75 0.0015 0.0045 0.0108
Loa Loa (eye worm) hypothetical protein 0.0015 0.0045 0.0106
Schistosoma mansoni hypothetical protein 0.0023 0.0104 0.0059
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0118 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0015 0.0045 0.0044
Brugia malayi hypothetical protein 0.0015 0.0045 0.0108
Echinococcus granulosus survival motor neuron protein 1 0.0257 0.1745 0.1744
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0017 0.0058 0.0057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0032 0.0164 0.0392
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0033 0.0078
Schistosoma mansoni coup transcription factor 0.0032 0.0164 0.0119
Schistosoma mansoni ankyrin 23/unc44 0.0023 0.0104 0.0059
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0017 0.0058 0.0137
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0379 0.0335
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0017 0.0058 0.0057
Brugia malayi Death domain containing protein 0.0023 0.0104 0.025
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.0599 0.4155 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0032 0.0164 0.0119
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0111 0.0721 0.0721
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0189 0.0145
Brugia malayi nuclear hormone receptor family member nhr-6 0.0015 0.0045 0.0108
Schistosoma mansoni thyroid hormone receptor 0.0168 0.1125 0.1085
Echinococcus multilocularis tumor protein p63 0.0367 0.2519 0.2519
Loa Loa (eye worm) hypothetical protein 0.0032 0.0164 0.0392
Loa Loa (eye worm) hypothetical protein 0.0017 0.0058 0.0137
Onchocerca volvulus 0.0052 0.0307 0.4961
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0032 0.0164 0.0392
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0379 0.0335
Loa Loa (eye worm) hypothetical protein 0.0032 0.0164 0.0392
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0032 0.0164 0.0392
Loa Loa (eye worm) hypothetical protein 0.0017 0.0058 0.0137
Loa Loa (eye worm) hypothetical protein 0.009 0.0574 0.138
Schistosoma mansoni hypothetical protein 0.0034 0.0176 0.0131
Schistosoma mansoni hypothetical protein 0.0016 0.0049 0.0004
Brugia malayi ecdysone receptor 0.0015 0.0045 0.0108
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0032 0.0164 0.0392
Echinococcus multilocularis ecdysone induced protein 78C 0.0032 0.0164 0.0163
Loa Loa (eye worm) hypothetical protein 0.0016 0.0049 0.0115
Brugia malayi nuclear receptor NHR-67 0.0015 0.0045 0.0108
Echinococcus granulosus thyroid hormone receptor alpha 0.0015 0.0045 0.0044
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.009 0.0574 0.0531
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0032 0.0164 0.0394
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0111 0.0721 0.0721
Loa Loa (eye worm) hypothetical protein 0.0032 0.0164 0.0392
Echinococcus multilocularis thyroid hormone receptor alpha 0.0168 0.1125 0.1124
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0074 0.0461 0.0418
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0032 0.0164 0.0394
Schistosoma mansoni RAR-like nuclear receptor 0.0032 0.0164 0.0119
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0032 0.0164 0.0394
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0058 0.0139
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0023 0.0104 0.0059
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0023 0.0104 0.0248
Brugia malayi hypothetical protein 0.0017 0.0058 0.0139
Schistosoma mansoni hypothetical protein 0.0016 0.0049 0.0004
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0032 0.0164 0.0392
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0049 0.0117
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0033 0.0078
Echinococcus granulosus cpg binding protein 0.003 0.015 0.0149
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0032 0.0164 0.0394
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0032 0.0164 0.0163
Loa Loa (eye worm) hypothetical protein 0.0015 0.0045 0.0106
Brugia malayi nuclear hormone receptor family member odr-7 0.0015 0.0045 0.0108
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0307 0.074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0032 0.0164 0.0392
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0023 0.0104 0.0103
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0015 0.0045 0.0044
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0025 0.0118 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0045 0.0106
Schistosoma mansoni nuclear hormone receptor 0.0032 0.0164 0.0119
Schistosoma mansoni hypothetical protein 0.0599 0.4155 0.4128
Loa Loa (eye worm) hypothetical protein 0.0015 0.0045 0.0106
Brugia malayi nuclear hormone receptor 0.0032 0.0164 0.0394
Onchocerca volvulus Protein ultraspiracle homolog 0.0032 0.0164 0.2242
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0164 0.0394
Loa Loa (eye worm) hypothetical protein 0.0015 0.0045 0.0106
Schistosoma mansoni hypothetical protein 0.0137 0.09 0.0859
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0164 0.0163
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0058 0.0139
Brugia malayi TAR-binding protein 0.0062 0.0379 0.0912
Brugia malayi hypothetical protein 0.0035 0.0189 0.0455
Brugia malayi hypothetical protein 0.0257 0.1745 0.42
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0032 0.0164 0.0163
Toxoplasma gondii melibiase subfamily protein 0.0111 0.0721 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0111 0.0721 0.0679
Onchocerca volvulus 0.0032 0.0164 0.2242
Echinococcus granulosus GPCR family 2 0.0016 0.0049 0.0048
Loa Loa (eye worm) hypothetical protein 0.0032 0.0164 0.0392
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0164 0.0163
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0015 0.0045 0.0044
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0015 0.0045 0.0044
Brugia malayi indoleamine 2,3-dioxygenase 0.0599 0.4155 1
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0025 0.0118 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0032 0.0164 0.0119
Echinococcus granulosus Ankyrin 0.0023 0.0104 0.0103
Loa Loa (eye worm) hypothetical protein 0.0015 0.0045 0.0106
Schistosoma mansoni survival motor neuron protein 0.0052 0.0307 0.0264
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0032 0.0164 0.0163
Loa Loa (eye worm) hypothetical protein 0.0054 0.0317 0.0761
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0285 0.0687
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0032 0.0164 0.0394
Schistosoma mansoni hypothetical protein 0.0403 0.2779 0.2746
Loa Loa (eye worm) hypothetical protein 0.0023 0.0104 0.0248
Echinococcus granulosus dnaJ subfamily B 0.0403 0.2779 0.2778
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0164 0.0119
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0032 0.0164 0.0119
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0164 0.0394
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0189 0.0188
Mycobacterium leprae conserved hypothetical protein 0.0025 0.0118 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0164 0.0394
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0032 0.0164 0.2242
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0015 0.0045 0.0106
Loa Loa (eye worm) hypothetical protein 0.0032 0.0164 0.0392
Entamoeba histolytica hypothetical protein 0.0035 0.0189 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0045 0.0106
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0111 0.0721 0.0679
Loa Loa (eye worm) DR-78 0.0015 0.0045 0.0106
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0379 0.091

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 4 uM Effective concentration of compound required to protect human T-lymphocytic cells against the cytopathogenicity of HIV-1 ChEMBL. 12801238
EC50 (functional) = 5.5 uM Concentration required to protect human T-lymphocytic cells against the cytopathogenicity of HIV-2 ChEMBL. 12801238
EC50 (functional) = 12 uM Effective concentration of compound required to protect C3H/3T3 embryo murine fibroblasts against the MSV induced transformation ChEMBL. 12801238
EC50 (functional) = 12 uM Effective concentration of compound required to protect C3H/3T3 embryo murine fibroblasts against the MSV induced transformation ChEMBL. 12801238
IC50 (functional) > 100 uM Inhibitory concentration of compound against proliferation of murine lukemia cells L1210 was determined ChEMBL. 12801238
IC50 (functional) > 100 uM Inhibitory concentration of compound against proliferation of human T-lymphocytic cells MOLT-4/C8 was determined ChEMBL. 12801238
IC50 (functional) > 100 uM Inhibitory concentration against proliferation of human T-lymphocytic (CEM) cells ChEMBL. 12801238
IC50 (functional) > 100 uM Inhibitory concentration of compound against proliferation of murine lukemia cells L1210 was determined ChEMBL. 12801238
IC50 (functional) > 100 uM Inhibitory concentration of compound against proliferation of human T-lymphocytic cells MOLT-4/C8 was determined ChEMBL. 12801238
IC50 (functional) > 100 uM Inhibitory concentration against proliferation of human T-lymphocytic (CEM) cells ChEMBL. 12801238
MIC (functional) > 100 uM Minimal inhibitory concentration required to cause a microscopic detectable alteration of C3H/3T3 embryo murine fibroblast cell morphology ChEMBL. 12801238
MIC (functional) > 100 uM Minimal inhibitory concentration required to cause a microscopic detectable alteration of C3H/3T3 embryo murine fibroblast cell morphology ChEMBL. 12801238

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 12801238

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.