Detailed information for compound 1765917

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1088.63 | Formula: C57H70ClN3O16
  • H donors: 4 H acceptors: 10 LogP: 4.62 Rotable bonds: 26
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN(CCCNC(=O)CCCC(=O)OC(C(c1ccccc1)NC(=O)c1ccccc1)C(=O)O[C@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)C3[C@@](C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)(C)[C@@H](O)CC1[C@@]3(CO1)OC(=O)C)C.Cl
  • InChi: 1S/C57H69N3O16.ClH/c1-33-39(73-53(69)47(74-43(65)27-18-26-42(64)58-28-19-29-60(7)8)45(36-20-12-9-13-21-36)59-51(67)37-22-14-10-15-23-37)31-57(70)50(75-52(68)38-24-16-11-17-25-38)48-55(6,40(63)30-41-56(48,32-71-41)76-35(3)62)49(66)46(72-34(2)61)44(33)54(57,4)5;/h9-17,20-25,39-41,45-48,50,63,70H,18-19,26-32H2,1-8H3,(H,58,64)(H,59,67);1H/t39-,40-,41?,45?,46+,47?,48?,50+,55+,56+,57+;/m0./s1
  • InChiKey: ZMYCRVJILUQQGH-DZXVVVIGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.3871 0.7117 1
Brugia malayi AMP-binding enzyme family protein 0.0099 0.0131 0.0129
Plasmodium vivax acyl-CoA synthetase, putative 0.0074 0.0085 0.0083
Echinococcus multilocularis Niemann Pick C1 protein 0.0196 0.0311 0.0311
Loa Loa (eye worm) hypothetical protein 0.4515 0.831 0.831
Loa Loa (eye worm) MBOAT family protein 0.0912 0.1638 0.1636
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.0016
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.006 0.006 0.0081
Echinococcus granulosus L aminoadipate semialdehyde 0.0095 0.0124 0.0124
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.007 0.0077 0.5903
Trypanosoma cruzi GUP1, putative 0.0912 0.1638 0.2301
Onchocerca volvulus 0.0038 0.0018 0.01
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0099 0.0131 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.0035 0.0033
Echinococcus multilocularis Niemann Pick C1 protein 0.028 0.0466 0.0466
Brugia malayi MBOAT family protein 0.0912 0.1638 0.1636
Trichomonas vaginalis transmembrane protein nessy, putative 0.0912 0.1638 0.2301
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0912 0.1638 0.1636
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0002 0.0143
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0002 0.0003
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0029 0.0002 0.0143
Schistosoma mansoni zinc finger protein 0.0912 0.1638 0.1636
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0029 0.0002 0.0143
Schistosoma mansoni egf-like domain protein 0.0054 0.0048 0.0046
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.0035 0.0033
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0029 0.0002 0.0002
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.016 0.0244 0.0242
Echinococcus multilocularis protein patched 0.0084 0.0104 0.0104
Echinococcus multilocularis c4b binding protein beta chain 0.0038 0.0018 0.0018
Entamoeba histolytica vacuolar protein sorting 26 0.0912 0.1638 0.2299
Schistosoma mansoni sterol O-acyltransferase 1 0.0912 0.1638 0.1636
Trichomonas vaginalis CMGC family protein kinase 0.006 0.006 0.0084
Trypanosoma cruzi GUP1, putative 0.0912 0.1638 0.2301
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.5427 1 1
Giardia lamblia Kinase, PLK 0.0109 0.0149 0.0171
Schistosoma mansoni hypothetical protein 0.0081 0.0098 0.0096
Loa Loa (eye worm) hypothetical protein 0.0054 0.0048 0.0046
Echinococcus granulosus mitogen activated protein kinase 3 0.006 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0074 0.0085 0.0083
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0002 0.0003
Leishmania major glycerol uptake protein, putative 0.0912 0.1638 0.2301
Trichomonas vaginalis conserved hypothetical protein 0.0912 0.1638 0.2301
Brugia malayi acetyltransferase, GNAT family protein 0.016 0.0244 0.0242
Schistosoma mansoni hypothetical protein 0.0081 0.0098 0.0096
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0912 0.1638 0.1638
Plasmodium falciparum acyl-CoA synthetase 0.0074 0.0085 0.0083
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0029 0.0002 0.0143
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0912 0.1638 0.2299
Leishmania major 4-coumarate:coa ligase-like protein 0.0099 0.0131 0.0184
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0912 0.1638 0.1638
Toxoplasma gondii calcium binding egf domain-containing protein 0.0054 0.0048 0.0046
Plasmodium falciparum diacylglycerol O-acyltransferase 0.5427 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0109 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.0016
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0029 0.0002 0.0002
Echinococcus granulosus geminin 0.0166 0.0255 0.0255
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0038 0.0019 0.0017
Echinococcus granulosus sterol regulatory element binding protein 0.0084 0.0104 0.0104
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.0185 0.0183
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.3871 0.7117 1
Trypanosoma brucei glycerol uptake protein, putative 0.0912 0.1638 0.2299
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0054 0.0048 0.0046
Echinococcus granulosus Niemann Pick C1 protein 0.0196 0.0311 0.0311
Leishmania major 4-coumarate:coa ligase-like protein 0.0099 0.0131 0.0184
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.0035 0.0035
Echinococcus granulosus c4b binding protein beta chain 0.0038 0.0018 0.0018
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0002 0.0143
Brugia malayi Probable ATP-dependent helicase DHX35 0.0038 0.0019 0.0017
Trichomonas vaginalis CAMK family protein kinase 0.0109 0.0149 0.021
Loa Loa (eye worm) hypothetical protein 0.0099 0.0131 0.0129
Echinococcus granulosus expressed conserved protein 0.0184 0.0289 0.0289
Trypanosoma cruzi glycerol uptake protein, putative 0.0912 0.1638 0.2301
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0029 0.0002 0.0143
Leishmania major glycerol uptake protein, putative 0.0912 0.1638 0.2301
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.5427 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0002 0.0143
Echinococcus multilocularis sterol O acyltransferase 1 0.0912 0.1638 0.1638
Brugia malayi MBOAT family protein 0.0912 0.1638 0.1636
Leishmania major hypothetical protein, conserved 0.0912 0.1638 0.2301
Entamoeba histolytica acyl-CoA synthetase, putative 0.0099 0.0131 0.0182
Treponema pallidum alginate O-acetylation protein (algI) 0.0912 0.1638 0.5
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0912 0.1638 0.1636
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.3871 0.7117 0.7117
Leishmania major glycerol uptake protein, putative 0.0912 0.1638 0.2301
Schistosoma mansoni c4b-binding protein beta chain 0.0038 0.0018 0.0016
Trypanosoma brucei protein kinase, putative 0.006 0.006 0.0081
Entamoeba histolytica DNA repair and recombination protein, putative 0.3871 0.7117 1
Entamoeba histolytica hypothetical protein 0.0072 0.0081 0.0111
Loa Loa (eye worm) hypothetical protein 0.0054 0.0048 0.0046
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0002 0.0143
Brugia malayi hypothetical protein 0.0038 0.0018 0.0016
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0002 0.0143
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0912 0.1638 0.1638
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0074 0.0085 0.6472
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0109 0.0149 0.0147
Loa Loa (eye worm) diacylglycerol acyltransferase 0.5427 1 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0029 0.0002 0.0003
Onchocerca volvulus 0.0038 0.0018 0.01
Loa Loa (eye worm) hypothetical protein 0.0912 0.1638 0.1636
Trichomonas vaginalis antibiotic synthetase, putative 0.0029 0.0002 0.0003
Echinococcus granulosus C type lectin domian containing protein 0.0038 0.0018 0.0018
Schistosoma mansoni serine/threonine protein kinase 0.006 0.006 0.0058
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0009 0.0007
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0002 0.0143
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0029 0.0002 0.0143
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0009 0.0009
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0029 0.0002 0.0143
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0352 0.06 0.0598
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.0016
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.0081 0.0079
Loa Loa (eye worm) hypothetical protein 0.0095 0.0124 0.0122
Onchocerca volvulus 0.0038 0.0018 0.01
Schistosoma mansoni hypothetical protein 0.0166 0.0255 0.0253
Echinococcus granulosus Tolloid protein 1 0.007 0.0077 0.0077
Brugia malayi Niemann-Pick C1 protein precursor 0.0196 0.0311 0.0309
Brugia malayi hypothetical protein 0.0038 0.0018 0.0016
Echinococcus multilocularis geminin 0.0166 0.0255 0.0255
Trichomonas vaginalis CAMK family protein kinase 0.0109 0.0149 0.021
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0185 0.0183
Schistosoma mansoni hypothetical protein 0.0352 0.06 0.0598
Loa Loa (eye worm) acetyltransferase 0.016 0.0244 0.0242
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.3871 0.7117 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0085 0.0083
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0002 0.0003
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0099 0.0131 1
Brugia malayi hypothetical protein 0.0072 0.0081 0.0079
Schistosoma mansoni patched 1 0.0084 0.0104 0.0102
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0047 0.0035 0.0033
Plasmodium falciparum importin beta, putative 0.0033 0.0009 0.0007
Brugia malayi hypothetical protein 0.0038 0.0018 0.0016
Echinococcus granulosus o acyltransferase membrane bound domain 0.0912 0.1638 0.1638
Echinococcus granulosus snurportin 1 0.0352 0.06 0.06
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0912 0.1638 0.1638
Trichomonas vaginalis conserved hypothetical protein 0.3871 0.7117 1
Echinococcus multilocularis expressed conserved protein 0.0184 0.0289 0.0289
Schistosoma mansoni hypothetical protein 0.3871 0.7117 0.7116
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0074 0.0085 0.6472
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.0016
Loa Loa (eye worm) hypothetical protein 0.0074 0.0085 0.0083
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.0081 0.0081
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0029 0.0002 0.0143
Loa Loa (eye worm) hypothetical protein 0.0912 0.1638 0.1636
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0002 0.0143
Brugia malayi Importin beta-1 subunit 0.0033 0.0009 0.0007
Schistosoma mansoni hypothetical protein 0.0072 0.0081 0.0079
Schistosoma mansoni serine/threonine protein kinase 0.0109 0.0149 0.0147
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.006 0.006 0.0084
Trichomonas vaginalis CAMK family protein kinase 0.0109 0.0149 0.021
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.3871 0.7117 1
Brugia malayi hypothetical protein 0.0038 0.0018 0.0016
Echinococcus granulosus laminin 0.0054 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0074 0.0085 0.0083
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0002 0.0143
Brugia malayi hypothetical protein 0.0038 0.0018 0.0016
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.254 0.4652 0.4652
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0912 0.1638 0.1638
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0029 0.0002 0.0143
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.006 0.006 0.0058
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.007 0.0077 0.5903
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.006 0.006 0.0084
Loa Loa (eye worm) hypothetical protein 0.0033 0.0009 0.0007
Brugia malayi CHE-14 protein 0.0084 0.0104 0.0102
Schistosoma mansoni hypothetical protein 0.0912 0.1638 0.1636
Echinococcus multilocularis protein dispatched 1 0.0096 0.0126 0.0126
Mycobacterium ulcerans acyl-CoA synthetase 0.0099 0.0131 1
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0029 0.0002 0.0143
Echinococcus multilocularis mitogen activated protein kinase 3 0.006 0.006 0.006
Brugia malayi MBOAT family protein 0.0912 0.1638 0.1636
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.007 0.0077 0.5903
Mycobacterium ulcerans acetyl-CoA synthetase 0.0029 0.0002 0.0143
Leishmania major 4-coumarate:coa ligase-like protein 0.0099 0.0131 0.0184
Loa Loa (eye worm) hhat protein 0.0912 0.1638 0.1636
Echinococcus multilocularis mitogen activated protein kinase 0.006 0.006 0.006
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0002 0.0143
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.0016
Onchocerca volvulus 0.0099 0.0131 0.0791
Leishmania major glycerol uptake protein, putative 0.0912 0.1638 0.2301
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0109 0.0149 0.021
Onchocerca volvulus 0.0038 0.0018 0.01
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0912 0.1638 0.1638
Giardia lamblia Rrm3p helicase 0.3871 0.7117 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.006 0.006 0.0084
Brugia malayi pregnancy-associated plasma protein-A 0.0038 0.0018 0.0016
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.0081 0.0081
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.5427 1 1
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.3871 0.7117 0.7117
Trichomonas vaginalis conserved hypothetical protein 0.0912 0.1638 0.2301
Echinococcus granulosus histone acetyltransferase KAT2B 0.0155 0.0236 0.0236
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0185 0.0183
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0002 0.0143
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.0028 0.0026
Entamoeba histolytica hypothetical protein, conserved 0.3871 0.7117 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0099 0.0131 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0185 0.0183
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0912 0.1638 0.1638
Loa Loa (eye worm) MBOAT family protein 0.0912 0.1638 0.1636
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.006 0.006 0.0084
Loa Loa (eye worm) DEAH box polypeptide 35 0.0038 0.0019 0.0017
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.007 0.0077 0.0075
Entamoeba histolytica acyl-CoA synthetase, putative 0.0099 0.0131 0.0182
Onchocerca volvulus 0.0038 0.0018 0.01
Giardia lamblia Kinase, CMGC MAPK 0.006 0.006 0.0045
Mycobacterium ulcerans acyl-CoA synthetase 0.0099 0.0131 1
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0029 0.0002 0.0143
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0185 0.0183
Loa Loa (eye worm) hypothetical protein 0.0038 0.0019 0.0017
Entamoeba histolytica serine/threonine protein kinase, putative 0.0109 0.0149 0.0207
Loa Loa (eye worm) RNA binding protein 0.0128 0.0185 0.0183
Loa Loa (eye worm) hypothetical protein 0.0107 0.0147 0.0145
Echinococcus granulosus Protein patched homolog 1 0.0084 0.0104 0.0104
Schistosoma mansoni hypothetical protein 0.0166 0.0255 0.0253
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.3871 0.7117 1
Plasmodium falciparum apical sushi protein 0.0038 0.0018 0.0016
Entamoeba histolytica acetyltransferase, GNAT family 0.0043 0.0028 0.0037
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.0016
Onchocerca volvulus Arrow homolog 0.0054 0.0048 0.028
Trypanosoma cruzi glycerol uptake protein, putative 0.0912 0.1638 0.2301
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0912 0.1638 0.2299
Entamoeba histolytica hypothetical protein 0.0072 0.0081 0.0111
Brugia malayi hypothetical protein 0.0038 0.0018 0.0016
Leishmania major hypothetical protein, conserved 0.0243 0.0399 0.056
Mycobacterium ulcerans acyl-CoA synthetase 0.0099 0.0131 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0009 0.001
Trichomonas vaginalis CMGC family protein kinase 0.006 0.006 0.0084
Toxoplasma gondii rhoptry neck protein RON1 0.0038 0.0018 0.0016
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.5427 1 1
Trichomonas vaginalis porcupine, putative 0.0912 0.1638 0.2301
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0047 0.0035 0.0049
Brugia malayi Hhat protein 0.0912 0.1638 0.1636
Onchocerca volvulus 0.0095 0.0124 0.0748
Echinococcus multilocularis C type lectin domian containing protein 0.0038 0.0018 0.0018
Trichomonas vaginalis CAMK family protein kinase 0.0054 0.0048 0.0068
Loa Loa (eye worm) hypothetical protein 0.0912 0.1638 0.1636
Leishmania major acetyl-CoA synthetase, putative 0.0029 0.0002 0.0003
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.5427 1 1
Leishmania major acetyl-CoA synthetase, putative 0.0029 0.0002 0.0003
Brugia malayi Fibulin-1 precursor 0.0054 0.0048 0.0046
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.006 0.006 0.0058
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0912 0.1638 0.1636
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0196 0.0311 0.0434
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.5427 1 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0099 0.0131 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0912 0.1638 0.1638
Trichomonas vaginalis CAMK family protein kinase 0.0109 0.0149 0.021
Loa Loa (eye worm) bone morphogenetic protein 1b 0.007 0.0077 0.0075
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0104 0.0146
Trichomonas vaginalis CAMK family protein kinase 0.0109 0.0149 0.021
Loa Loa (eye worm) hypothetical protein 0.0099 0.0131 0.0129
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0038 0.0019 0.0017
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0199 0.0316 0.0315
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0095 0.0124 0.0122
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0029 0.0002 0.0143
Loa Loa (eye worm) hypothetical protein 0.007 0.0077 0.0075
Loa Loa (eye worm) hhat protein 0.0912 0.1638 0.1636
Onchocerca volvulus Serine\/threonine kinase homolog 0.0109 0.0149 0.0901
Echinococcus multilocularis L aminoadipate semialdehyde 0.0095 0.0124 0.0124
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0912 0.1638 0.1636
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0912 0.1638 0.1638
Loa Loa (eye worm) hypothetical protein 0.0099 0.0131 0.0129
Entamoeba histolytica hypothetical protein 0.0072 0.0081 0.0111
Schistosoma mansoni hypothetical protein 0.0081 0.0098 0.0096
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0002 0.0143
Brugia malayi Sushi domain 0.0038 0.0018 0.0016
Onchocerca volvulus 0.0038 0.0018 0.01
Trypanosoma cruzi polo-like protein kinase, putative 0.0109 0.0149 0.021
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0099 0.0131 1
Trypanosoma brucei hypothetical protein, conserved 0.0243 0.0399 0.0558
Echinococcus multilocularis fibrillin 1 0.0054 0.0048 0.0048
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0912 0.1638 0.1636
Entamoeba histolytica hypothetical protein, conserved 0.0912 0.1638 0.2299
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0054 0.0048 0.0046
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0054 0.0048 0.0046
Entamoeba histolytica acyl-coA synthetase, putative 0.0099 0.0131 0.0182
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0002 0.0143
Plasmodium vivax importin-beta 2, putative 0.0033 0.0009 0.0007
Brugia malayi AMP-binding enzyme family protein 0.0099 0.0131 0.0129
Trypanosoma cruzi glycerol uptake protein, putative 0.0912 0.1638 0.2301
Brugia malayi MBOAT family protein 0.0912 0.1638 0.1636
Onchocerca volvulus 0.0038 0.0018 0.01
Brugia malayi MAP kinase sur-1 0.006 0.006 0.0058
Echinococcus granulosus sterol O acyltransferase 1 0.0912 0.1638 0.1638
Trichomonas vaginalis conserved hypothetical protein 0.0912 0.1638 0.2301
Schistosoma mansoni hypothetical protein 0.0081 0.0098 0.0096
Brugia malayi serine/threonine-protein kinase plk-2 0.0109 0.0149 0.0147
Loa Loa (eye worm) hypothetical protein 0.0084 0.0104 0.0102
Trypanosoma cruzi hypothetical protein, conserved 0.0243 0.0399 0.056
Echinococcus granulosus tar DNA binding protein 0.0128 0.0185 0.0185
Brugia malayi hypothetical protein 0.0038 0.0018 0.0016
Trichomonas vaginalis bromodomain-containing protein, putative 0.0047 0.0035 0.0049
Schistosoma mansoni kinase 0.0055 0.0051 0.0049
Echinococcus granulosus Niemann Pick C1 protein 0.028 0.0466 0.0466
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.0016
Trichomonas vaginalis CMGC family protein kinase 0.006 0.006 0.0084
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.006 0.006 0.0084
Trypanosoma cruzi polo-like protein kinase, putative 0.0109 0.0149 0.021
Trypanosoma brucei polo-like protein kinase 0.0109 0.0149 0.0207
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0912 0.1638 0.1638
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.0185 0.0183
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0109 0.0149 0.0149
Trypanosoma cruzi hypothetical protein, conserved 0.0243 0.0399 0.056
Echinococcus multilocularis snurportin 1 0.0352 0.06 0.06
Schistosoma mansoni importin beta-1 0.0033 0.0009 0.0007
Onchocerca volvulus 0.0038 0.0018 0.01
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0912 0.1638 0.1638
Loa Loa (eye worm) hypothetical protein 0.0074 0.0085 0.0083
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0099 0.0131 1
Onchocerca volvulus 0.0912 0.1638 1
Loa Loa (eye worm) MBOAT family protein 0.0912 0.1638 0.1636
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.007 0.0077 0.5903
Echinococcus granulosus mitogen activated protein kinase 0.006 0.006 0.006
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0009 0.001
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.3871 0.7117 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.0016
Toxoplasma gondii hypothetical protein 0.0912 0.1638 0.1636
Loa Loa (eye worm) hypothetical protein 0.0054 0.0048 0.0046
Echinococcus multilocularis laminin 0.0054 0.0048 0.0048
Brugia malayi Calcium binding EGF domain containing protein 0.0054 0.0048 0.0046
Brugia malayi TAR-binding protein 0.0128 0.0185 0.0183
Brugia malayi GCC2 and GCC3 family protein 0.0038 0.0018 0.0016
Loa Loa (eye worm) pregnancy-associated plasma protein-E 0.0038 0.0018 0.0016
Trypanosoma brucei glycerol uptake protein, putative 0.0912 0.1638 0.2299
Entamoeba histolytica hypothetical protein 0.0912 0.1638 0.2299
Echinococcus granulosus importin subunit beta 1 0.0033 0.0009 0.0009
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0029 0.0002 0.0143
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0029 0.0002 0.0143
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0074 0.0085 0.5
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0029 0.0002 0.0003
Brugia malayi AMP-binding enzyme family protein 0.0099 0.0131 0.0129
Plasmodium vivax apical sushi protein, putative 0.0038 0.0018 0.0016
Loa Loa (eye worm) TAR-binding protein 0.0128 0.0185 0.0183
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0912 0.1638 0.2299
Mycobacterium ulcerans hypothetical protein 0.0099 0.0131 1
Brugia malayi RNA binding protein 0.0128 0.0185 0.0183
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0029 0.0002 0.0143
Onchocerca volvulus 0.0038 0.0018 0.01
Onchocerca volvulus 0.0038 0.0018 0.01
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0912 0.1638 0.1636
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0029 0.0002 0.0003
Loa Loa (eye worm) hypothetical protein 0.0912 0.1638 0.1636
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.3871 0.7117 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0185 0.0183
Echinococcus multilocularis tar DNA binding protein 0.0128 0.0185 0.0185
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0002 0.0143
Echinococcus multilocularis sterol regulatory element binding protein 0.0084 0.0104 0.0104
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.016 0.0244 0.0244
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0912 0.1638 0.1638
Echinococcus granulosus o acyltransferase membrane bound domain 0.0912 0.1638 0.1638
Echinococcus multilocularis Tolloid protein 1 0.007 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0103 0.0139 0.0137
Trichomonas vaginalis CMGC family protein kinase 0.006 0.006 0.0084
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0095 0.0124 0.0122
Entamoeba histolytica hypothetical protein 0.0072 0.0081 0.0111
Brugia malayi RNA, U transporter 1 0.0094 0.0122 0.012
Loa Loa (eye worm) hypothetical protein 0.0196 0.0311 0.0309
Toxoplasma gondii rhoptry neck protein RON9 0.0038 0.0018 0.0016
Trichomonas vaginalis CAMK family protein kinase 0.0109 0.0149 0.021
Brugia malayi Cytochrome P450 family protein 0.0045 0.0031 0.0029
Trichomonas vaginalis CAMK family protein kinase 0.0054 0.0048 0.0068
Trichomonas vaginalis CAMK family protein kinase 0.0109 0.0149 0.021
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0099 0.0131 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0099 0.0131 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0031 0.0029
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.006 0.006 0.0084
Toxoplasma gondii calcium binding egf domain-containing protein 0.0054 0.0048 0.0046
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0084 0.0104 0.0102
Brugia malayi MBOAT family protein 0.0912 0.1638 0.1636
Leishmania major glycerol uptake protein, putative 0.0912 0.1638 0.2301

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -8 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -8 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -8 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -8 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -8 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.98 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -7.913 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.186 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.993 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.66 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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