Detailed information for compound 455849

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 664.838 | Formula: C35H52N8O5
  • H donors: 7 H acceptors: 5 LogP: 3.68 Rotable bonds: 26
    Rule of 5 violations (Lipinski): 3
  • SMILES: CCCCCCNC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)c1ccc(cc1)NC(=O)[C@@H](NC(=O)C)CCCNC(=N)N)Cc1ccccc1
  • InChi: 1S/C35H52N8O5/c1-5-6-7-11-20-38-32(46)29(22-25-13-9-8-10-14-25)42-34(48)30(23(2)3)43-31(45)26-16-18-27(19-17-26)41-33(47)28(40-24(4)44)15-12-21-39-35(36)37/h8-10,13-14,16-19,23,28-30H,5-7,11-12,15,20-22H2,1-4H3,(H,38,46)(H,40,44)(H,41,47)(H,42,48)(H,43,45)(H4,36,37,39)/t28-,29-,30-/m0/s1
  • InChiKey: ZGVWWJKTUFBWRB-DTXPUJKBSA-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
Loa Loa (eye worm) hypothetical protein 0.0114 0.1027 0.2803
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0157 0.1491 0.4418
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0049 0.0322 0.0896
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0037 0.0187 0.0555
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0174 0.1671 0.4951
Loa Loa (eye worm) hypothetical protein 0.0275 0.2765 0.7547
Schistosoma mansoni hypothetical protein 0.0123 0.112 0.1347
Echinococcus multilocularis Niemann Pick C1 protein 0.0163 0.1559 0.1559
Loa Loa (eye worm) hypothetical protein 0.0039 0.0211 0.0576
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0311 0.3162 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0051 0.034 0.1809
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0188 0.1824 0.508
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0311 0.3162 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0051 0.034 0.1006
Mycobacterium tuberculosis Probable reductase 0.0125 0.1145 0.3394
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0052 0.035 0.035
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0331 0.3375 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0037 0.0187 0.0555
Loa Loa (eye worm) CYP4Cod1 0.003 0.0114 0.0311
Echinococcus granulosus nibrin 0.0021 0.0012 0.0014
Loa Loa (eye worm) hypothetical protein 0.0038 0.02 0.0546
Loa Loa (eye worm) hypothetical protein 0.0049 0.0319 0.0871
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0031 0.0126 0.0364
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0219 0.6744
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0164 0.1565 0.4272
Schistosoma mansoni DNA ligase IV 0.0021 0.0012 0.0014
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0139 0.1297 0.3843
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0234 0.0694
Toxoplasma gondii ATPase, AAA family protein 0.0021 0.0012 0.0035
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0234 0.0652
Entamoeba histolytica hypothetical protein 0.0123 0.112 0.6117
Schistosoma mansoni patched 1 0.0049 0.0319 0.0384
Trypanosoma cruzi FHA domain containing protein, putative 0.0021 0.0012 0.0033
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.002 0.0006 0.0017
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0091 0.0772 0.0772
Brugia malayi Cytochrome P450 family protein 0.002 0.0006 0.0017
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0091 0.0772 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.015 0.0418
Echinococcus multilocularis snurportin 1 0.0357 0.3664 0.3664
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0331 0.3375 1
Entamoeba histolytica protein kinase, putative 0.0188 0.1824 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0114 0.1027 0.3043
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0166 0.1587 0.442
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0311 0.3162 0.9369
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0091 0.0772 0.2287
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0021 0.0012 0.0035
Loa Loa (eye worm) hypothetical protein 0.0038 0.02 0.0546
Brugia malayi AMP-binding enzyme family protein 0.0051 0.034 0.1006
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.002 0.0006 0.0017
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0069 0.0537 0.0646
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0091 0.0772 1
Echinococcus multilocularis neuroglian 0.0033 0.0142 0.0142
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0052 0.035 0.1036
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0049 0.0322 0.0896
Loa Loa (eye worm) cytochrome P450 0.002 0.0006 0.0015
Schistosoma mansoni hypothetical protein 0.0047 0.03 0.0361
Schistosoma mansoni hypothetical protein 0.0047 0.03 0.0361
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0038 0.02 0.259
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0021 0.0012 0.0033
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.0382 0.1133
Plasmodium vivax glutathione reductase, putative 0.0055 0.0382 0.1177
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0.0054 1
Entamoeba histolytica hypothetical protein 0.0123 0.112 0.6117
Echinococcus multilocularis replication factor c subunit 1 0.0021 0.0012 0.0012
Brugia malayi beta-NAC-like protein 0.004 0.0219 0.0649
Loa Loa (eye worm) cytochrome P450 family protein 0.0064 0.0477 0.1302
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.002 0.0006 0.0017
Schistosoma mansoni importin beta-1 0.0033 0.015 0.0181
Leishmania major cytochrome p450-like protein 0.002 0.0006 0.0016
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0069 0.0537 0.1496
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.006 0.0433 0.1282
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.002 0.0006 0.0017
Echinococcus multilocularis peptidase Clp (S14 family) 0.006 0.0433 0.0433
Leishmania major trypanothione reductase 0.0055 0.0382 0.1065
Trypanosoma cruzi transcription factor btf3, putative 0.004 0.0219 0.061
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0177 0.0526
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0234 0.724
Echinococcus granulosus GPCR family 2 0.0052 0.035 0.042
Loa Loa (eye worm) latrophilin receptor protein 2 0.0052 0.035 0.0954
Leishmania major lanosterol 14-alpha-demethylase, putative 0.002 0.0006 0.0016
Schistosoma mansoni microtubule-associated protein tau 0.0786 0.8314 1
Brugia malayi GMP reductase 0.0137 0.1278 0.3787
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0139 0.1297 0.3843
Echinococcus granulosus sterol regulatory element binding protein 0.0049 0.0319 0.0384
Echinococcus granulosus microtubule associated protein 2 0.0786 0.8314 1
Trichomonas vaginalis ran, putative 0.0025 0.0054 0.1384
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.002 0.0006 0.0016
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.015 0.0418
Mycobacterium leprae Conserved hypothetical protein 0.002 0.0006 0.0017
Entamoeba histolytica protein kinase domain containing protein 0.0188 0.1824 1
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0137 0.1278 0.3787
Schistosoma mansoni hypothetical protein 0.0047 0.03 0.0361
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.002 0.0006 0.0017
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0331 0.3375 0.9399
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0081 0.2269
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0021 0.0012 0.0035
Leishmania major 4-coumarate:coa ligase-like protein 0.0051 0.034 0.0946
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0091 0.0772 0.2287
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.002 0.0006 0.0017
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0051 0.034 0.1006
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.006 0.0439 0.1222
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.006 0.0433 0.1282
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0351 0.3591 1
Schistosoma mansoni hypothetical protein 0.0052 0.035 0.042
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0021 0.0012 0.0033
Brugia malayi latrophilin 2 splice variant baaae 0.0112 0.1002 0.297
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0025 0.0054 0.0054
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0234 0.724
Loa Loa (eye worm) hypothetical protein 0.0164 0.1565 0.4272
Schistosoma mansoni hypothetical protein 0.0047 0.03 0.0361
Loa Loa (eye worm) inositol-1 0.0041 0.0234 0.0639
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0031 0.0126 0.0399
Toxoplasma gondii aldehyde dehydrogenase 0.0069 0.0537 0.1592
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0177 0.0526
Schistosoma mansoni hypothetical protein 0.0112 0.1002 0.1206
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.002 0.0006 0.0017
Echinococcus multilocularis sterol regulatory element binding protein 0.0049 0.0319 0.0319
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0157 0.1491 0.4418
Echinococcus multilocularis importin subunit beta 1 0.0033 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.0021 0.0012 0.0032
Schistosoma mansoni serine/threonine protein kinase 0.0188 0.1824 0.2194
Trypanosoma brucei transcription factor BTF3, putative 0.004 0.0219 0.061
Brugia malayi Latrophilin receptor protein 2 0.0052 0.035 0.1036
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0357 0.3664 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0125 0.1145 0.3394
Plasmodium falciparum thioredoxin reductase 0.0055 0.0382 0.121
Brugia malayi Importin beta-1 subunit 0.0033 0.015 0.0445
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0331 0.3375 0.9399
Loa Loa (eye worm) GMP reductase 0.0137 0.1278 0.3488
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0049 0.0319 0.0871
Echinococcus granulosus neuroglian 0.0033 0.0142 0.0171
Leishmania major inosine-5-monophosphate dehydrogenase 0.0331 0.3375 0.9399
Leishmania major guanosine monophosphate reductase 0.0331 0.3375 0.9399
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.002 0.0006 0.0017
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0038 0.02 0.0592
Schistosoma mansoni hypothetical protein 0.039 0.4015 0.4829
Echinococcus granulosus roundabout 2 0.0039 0.0211 0.0254
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0234 0.0234
Brugia malayi DKFZp564C0469 protein 0.0021 0.0012 0.0035
Schistosoma mansoni hypothetical protein 0.0052 0.035 0.042
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0123 0.112 0.112
Loa Loa (eye worm) hypothetical protein 0.0187 0.1814 0.495
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.002 0.0006 0.0017
Entamoeba histolytica hypothetical protein 0.0188 0.1824 1
Onchocerca volvulus Putative GMP reductase 0.0137 0.1278 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0114 0.1027 0.1027
Echinococcus granulosus Protein patched homolog 1 0.0049 0.0319 0.0384
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0091 0.0772 0.2413
Brugia malayi glutathione reductase 0.0055 0.0382 0.1133
Echinococcus multilocularis transcription factor btf3 0.004 0.0219 0.0219
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.015 0.0445
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.002 0.0006 0.0017
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0091 0.0772 0.2441
Mycobacterium ulcerans hypothetical protein 0.0185 0.1791 0.5306
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0351 0.3591 1
Schistosoma mansoni hypothetical protein 0.0056 0.0394 0.0474
Echinococcus multilocularis protein patched 0.0049 0.0319 0.0319
Echinococcus granulosus geminin 0.039 0.4015 0.4829
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0537 0.1592
Entamoeba histolytica hypothetical protein 0.0123 0.112 0.6117
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.002 0.0006 0.0017
Brugia malayi Cytochrome P450 family protein 0.003 0.0114 0.0337
Trypanosoma cruzi cytochrome P450, putative 0.003 0.0114 0.0317
Echinococcus granulosus GTP binding nuclear protein Ran 0.0025 0.0054 0.0065
Plasmodium falciparum importin beta, putative 0.0033 0.015 0.0475
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0382 0.1177
Schistosoma mansoni inositol monophosphatase 0.0041 0.0234 0.0282
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0188 0.1824 0.508
Echinococcus multilocularis nibrin 0.0021 0.0012 0.0012
Brugia malayi topoisomerase 0.0021 0.0012 0.0035
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0234 0.1228
Schistosoma mansoni hypothetical protein 0.0052 0.035 0.042
Mycobacterium ulcerans acyl-CoA synthetase 0.0051 0.034 0.1006
Entamoeba histolytica Ran family GTPase 0.0025 0.0054 0.0235
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0052 0.035 0.042
Echinococcus multilocularis geminin 0.039 0.4015 0.4015
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0234 0.0652
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0091 0.0772 0.2287
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0031 0.0118 0.0323
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0025 0.0054 0.0151
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0234 0.724
Trypanosoma cruzi GMP reductase 0.0331 0.3375 0.9399
Echinococcus granulosus peptidase Clp S14 family 0.006 0.0433 0.052
Leishmania major basic transcription factor 3a, putative 0.004 0.0219 0.061
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.002 0.0006 0.0017
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0174 0.1671 0.4951
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0394 0.1169
Loa Loa (eye worm) hypothetical protein 0.0187 0.1814 0.495
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0537 0.1592
Schistosoma mansoni hypothetical protein 0.0052 0.035 0.042
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0234 0.0652
Echinococcus granulosus neuropeptide s receptor 0.053 0.5531 0.6652
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.002 0.0006 0.0017
Toxoplasma gondii hypothetical protein 0.0057 0.04 0.1187
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0331 0.3375 1
Leishmania major GTP-binding protein, putative 0.0025 0.0054 0.0151
Schistosoma mansoni transcription factor LCR-F1 0.0123 0.112 0.1347
Brugia malayi hypothetical protein 0.0021 0.0012 0.0035
Brugia malayi CHE-14 protein 0.0049 0.0319 0.0945
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0054 0.0151
Brugia malayi Protein kinase domain containing protein 0.0188 0.1824 0.5405
Mycobacterium tuberculosis Probable oxidoreductase 0.0139 0.1297 0.3843
Echinococcus granulosus Niemann Pick C1 protein 0.0114 0.1027 0.1235
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.002 0.0006 0.0017
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0025 0.0054 0.0161
Echinococcus granulosus importin subunit beta 1 0.0033 0.015 0.0181
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0021 0.0012 0.0035
Echinococcus multilocularis neuropeptide s receptor 0.053 0.5531 0.5531
Trypanosoma cruzi cytochrome P450, putative 0.003 0.0114 0.0317
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0166 0.1587 0.442
Plasmodium falciparum basic transcription factor 3b, putative 0.004 0.0219 0.0693
Brugia malayi hypothetical protein 0.0021 0.0012 0.0035
Schistosoma mansoni inositol monophosphatase 0.0041 0.0234 0.0282
Loa Loa (eye worm) hypothetical protein 0.006 0.0439 0.1198
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0234 0.0282
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.002 0.0006 0.0017
Loa Loa (eye worm) hypothetical protein 0.0051 0.034 0.0927
Leishmania major mitochondrial DNA polymerase beta 0.0351 0.3591 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0051 0.034 0.1006
Loa Loa (eye worm) ICD-1 protein 0.004 0.0219 0.0598
Echinococcus granulosus Niemann Pick C1 protein 0.0163 0.1559 0.1875
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0137 0.1278 0.3787
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.002 0.0006 0.0017
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.002 0.0006 0.0017
Plasmodium falciparum glutathione reductase 0.0055 0.0382 0.121
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0188 0.1824 0.508
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.0537 0.0646
Brugia malayi AMP-binding enzyme family protein 0.0051 0.034 0.1006
Loa Loa (eye worm) hypothetical protein 0.0021 0.0012 0.0032
Entamoeba histolytica hypothetical protein 0.0123 0.112 0.6117
Trypanosoma brucei trypanothione reductase 0.0055 0.0382 0.1065
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0114 0.0311
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.002 0.0006 0.0017
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.002 0.0006 0.0017
Chlamydia trachomatis DNA ligase 0.0021 0.0012 0.0151
Loa Loa (eye worm) hypothetical protein 0.0021 0.0012 0.0032
Trypanosoma brucei cytochrome P450, putative 0.003 0.0114 0.0317
Brugia malayi AMP-binding enzyme family protein 0.0051 0.034 0.1006
Trypanosoma cruzi GMP reductase 0.0331 0.3375 0.9399
Loa Loa (eye worm) hypothetical protein 0.0091 0.0772 0.2107
Schistosoma mansoni hypothetical protein 0.002 0.0006 0.0007
Entamoeba histolytica transcription factor BTF3, putative 0.004 0.0219 0.1144
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0025 0.0054 0.0148
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0331 0.3375 0.9399
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.002 0.0006 0.0017
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0234 0.0694
Schistosoma mansoni topbp1 0.0021 0.0012 0.0014
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.002 0.0006 0.0017
Loa Loa (eye worm) hypothetical protein 0.0033 0.015 0.041
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0125 0.1145 0.3394
Echinococcus multilocularis 0.002 0.0006 0.0006
Echinococcus multilocularis roundabout 2 0.0039 0.0211 0.0211
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0025 0.0054 0.0161
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0164 0.1565 0.4638
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0331 0.3375 0.4059
Echinococcus granulosus dual specificity 0.0188 0.1824 0.2194
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0052 0.035 0.042
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.0118 0.0351
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0234 0.0694
Schistosoma mansoni chromosome transmission fidelity factor 0.0021 0.0012 0.0014
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.002 0.0006 0.0017
Mycobacterium ulcerans acyl-CoA synthetase 0.0051 0.034 0.1006
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0351 0.3591 1
Echinococcus multilocularis dual specificity 0.0188 0.1824 0.1824
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0081 0.2269
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0322 0.0896
Brugia malayi Probable ClpP-like protease 0.0091 0.0772 0.2287
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0382 0.1065
Echinococcus granulosus transcription factor btf3 0.004 0.0219 0.0263
Giardia lamblia Replication factor C, subunit 1 0.0021 0.0012 0.2154
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.002 0.0006 0.0017
Loa Loa (eye worm) hypothetical protein 0.0051 0.034 0.0927
Mycobacterium ulcerans acyl-CoA synthetase 0.0051 0.034 0.1006
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0021 0.0012 0.0035
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.002 0.0006 0.0017
Echinococcus multilocularis microtubule associated protein 2 0.0786 0.8314 0.8314
Plasmodium vivax basic transcription factor 3b, putative 0.004 0.0219 0.0658
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.0537 0.0646
Echinococcus multilocularis neuropeptide receptor A26 0.053 0.5531 0.5531
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.002 0.0006 0.0017
Leishmania major importin beta-1 subunit, putative 0.0027 0.0081 0.0227
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0031 0.0126 0.1636
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0051 0.034 0.1006
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0091 0.0772 0.2287
Loa Loa (eye worm) IMP dehydrogenase 1 0.0331 0.3375 0.9211
Plasmodium falciparum acyl-CoA synthetase 0.0038 0.02 0.0632
Toxoplasma gondii IMP dehydrogenas 0.0331 0.3375 1
Brugia malayi hypothetical protein 0.0275 0.2765 0.8194
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0123 0.112 0.1347
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0081 0.0227
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0114 0.1027 0.5601
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.002 0.0006 0.0017
Trypanosoma brucei GMP reductase 0.0331 0.3375 0.9399
Echinococcus granulosus snurportin 1 0.0357 0.3664 0.4407
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0091 0.0772 0.0928
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0319 1
Echinococcus granulosus replication factor c subunit 1 0.0021 0.0012 0.0014
Mycobacterium ulcerans hypothetical protein 0.0051 0.034 0.1006
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.006 0.0433 0.1282
Echinococcus granulosus twitchin 0.0034 0.0153 0.0184
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0234 0.0652
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0051 0.034 0.1006
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0331 0.3375 0.4059
Echinococcus granulosus expressed conserved protein 0.0107 0.0952 0.1145
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0125 0.1145 0.3394
Schistosoma mansoni transcription factor btf3 0.004 0.0219 0.0263
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0031 0.0126 0.0374
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0382 0.046
Brugia malayi Thioredoxin reductase 0.0055 0.0382 0.1133
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.002 0.0006 0.0017
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.003 0.0114 0.0337
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0382 0.0382
Loa Loa (eye worm) hypothetical protein 0.0038 0.02 0.0546
Schistosoma mansoni topbp1 0.0021 0.0012 0.0014
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0331 0.3375 0.3375
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0188 0.1824 0.508
Brugia malayi hypothetical protein 0.0123 0.112 0.332
Loa Loa (eye worm) hypothetical protein 0.0038 0.02 0.0546
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0054 0.0151
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0051 0.034 0.1006
Loa Loa (eye worm) hypothetical protein 0.0051 0.034 0.0927
Mycobacterium tuberculosis Conserved hypothetical protein 0.0185 0.1791 0.5306
Toxoplasma gondii thioredoxin reductase 0.0055 0.0382 0.1133
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0125 0.1145 0.3394
Entamoeba histolytica hypothetical protein 0.0027 0.0081 0.0385
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0091 0.0772 1
Schistosoma mansoni cell adhesion molecule 0.0026 0.0067 0.0081
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.002 0.0006 0.0017
Echinococcus granulosus cytochrome P450 2K1 0.002 0.0006 0.0007
Mycobacterium leprae putative cytochrome p450 0.002 0.0006 0.0017
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0081 0.2269
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0052 0.035 0.035
Plasmodium falciparum replication factor C subunit 1, putative 0.0021 0.0012 0.0037
Schistosoma mansoni hypothetical protein 0.0357 0.3664 0.4407
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0069 0.0537 0.0537
Brugia malayi Inositol-1 0.0041 0.0234 0.0694
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0537 0.1592
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0139 0.1297 0.3843
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0091 0.0772 0.2287
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0026 0.0067 0.0081
Plasmodium vivax importin-beta 2, putative 0.0033 0.015 0.0439
Schistosoma mansoni survival motor neuron protein 0.0056 0.0394 0.0474
Loa Loa (eye worm) hypothetical protein 0.0052 0.035 0.0954
Loa Loa (eye worm) glutathione reductase 0.0055 0.0382 0.1044
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0091 0.0772 0.2287
Echinococcus multilocularis GPCR, family 2 0.0052 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0021 0.0012 0.0032
Toxoplasma gondii cytochrome p450 superfamily protein 0.002 0.0006 0.0017
Entamoeba histolytica acyl-coA synthetase, putative 0.0051 0.034 0.1809
Onchocerca volvulus 0.0051 0.034 0.2658
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0038 0.02 0.0592
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.002 0.0006 0.0017
Trypanosoma cruzi cytochrome p450-like protein, putative 0.002 0.0006 0.0016
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.002 0.0006 0.0017
Echinococcus multilocularis protein dispatched 1 0.0056 0.0394 0.0394
Brugia malayi Cytochrome P450 family protein 0.0064 0.0477 0.1414
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.002 0.0006 0.0017
Schistosoma mansoni tyrosine kinase 0.0024 0.0051 0.0061
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0012 0.0033
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.002 0.0006 0.0017
Mycobacterium tuberculosis Probable dehydrogenase 0.0125 0.1145 0.3394
Onchocerca volvulus 0.0021 0.0012 0.0091
Leishmania major cytochrome p450-like protein 0.002 0.0006 0.0016
Leishmania major 4-coumarate:coa ligase-like protein 0.0051 0.034 0.0946
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0166 0.1587 0.442
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0331 0.3375 1
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0219 0.6744
Plasmodium vivax acyl-CoA synthetase, putative 0.0038 0.02 0.0598
Schistosoma mansoni peptidase Clp (S14 family) 0.0091 0.0772 0.0928
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.002 0.0006 0.0017
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0125 0.1145 0.3394
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0012 0.0033
Schistosoma mansoni hypothetical protein 0.039 0.4015 0.4829
Brugia malayi RNA, U transporter 1 0.0095 0.082 0.2429
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0188 0.1824 0.4979
Echinococcus granulosus survival motor neuron protein 1 0.0275 0.2765 0.3326
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.002 0.0006 0.0017
Schistosoma mansoni cytochrome P450 0.002 0.0006 0.0007
Toxoplasma gondii hypothetical protein 0.0031 0.0126 0.0374
Loa Loa (eye worm) hypothetical protein 0.0021 0.0012 0.0032
Brugia malayi Pax transcription activation domain interacting protein 0.0021 0.0012 0.0035
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0025 0.0054 0.0172
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0331 0.3375 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0322 0.0896
Onchocerca volvulus 0.0056 0.0394 0.3086
Loa Loa (eye worm) hypothetical protein 0.0039 0.0211 0.0576
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0021 0.0012 0.0035
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0021 0.001 0.0028
Echinococcus granulosus neuropeptide receptor A26 0.053 0.5531 0.6652
Schistosoma mansoni ran 0.0025 0.0054 0.0065
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.002 0.0006 0.0017
Treponema pallidum DNA ligase (lig) 0.0021 0.0012 0.0151
Schistosoma mansoni ran 0.0025 0.0054 0.0065
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.002 0.0006 0.0017
Brugia malayi cytochrome P450 0.002 0.0006 0.0017
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0382 0.1044
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0116 0.1046 0.1258
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0021 0.0012 0.0000019318
Loa Loa (eye worm) hypothetical protein 0.0026 0.0067 0.0183
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0331 0.3375 0.9399
Entamoeba histolytica hypothetical protein 0.004 0.0219 0.1144
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.002 0.0006 0.0017
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0051 0.034 0.1006
Toxoplasma gondii NAC domain-containing protein 0.004 0.0219 0.0649
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0114 0.0311
Loa Loa (eye worm) hypothetical protein 0.0038 0.02 0.0546
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.034 0.1006
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.002 0.0006 0.0017
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0219 0.6744
Loa Loa (eye worm) hypothetical protein 0.0021 0.0012 0.0032
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.002 0.0006 0.0017
Brugia malayi Cytochrome P450 family protein 0.003 0.0114 0.0337
Loa Loa (eye worm) hypothetical protein 0.0112 0.1002 0.2736
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.002 0.0006 0.0016
Brugia malayi Calcitonin receptor-like protein seb-1 0.0164 0.1565 0.4638
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.002 0.0006 0.0017
Echinococcus multilocularis expressed conserved protein 0.0107 0.0952 0.0952
Leishmania major 4-coumarate:coa ligase-like protein 0.0051 0.034 0.0946
Echinococcus multilocularis survival motor neuron protein 1 0.0275 0.2765 0.2765
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0069 0.0537 0.1592
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0025 0.0054 0.0135
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0177 0.0526
Leishmania major cytochrome p450-like protein 0.003 0.0114 0.0317
Entamoeba histolytica protein kinase, putative 0.0188 0.1824 1
Schistosoma mansoni nephrin 0.0033 0.0142 0.0171
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.002 0.0006 0.0016
Trypanosoma cruzi transcription factor btf3, putative 0.004 0.0219 0.061
Entamoeba histolytica acyl-CoA synthetase, putative 0.0051 0.034 0.1809
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0177 0.0526

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 163 uM Inhibition of Akt after 1 hr by fluorescence polarization assay ChEMBL. 17276059
IC50 (binding) = 163 uM Inhibition of Akt after 1 hr by fluorescence polarization assay ChEMBL. 17276059

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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