Detailed information for compound 222201

Basic information

Technical information
  • TDR Targets ID: 222201
  • Name: 4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amin o]-1-methylpyrrole-2-carbonyl]amino]-1-methyl pyrrole-2-carbonyl]amino]-N-[2-(4-fluoropiper idin-1-yl)ethyl]-1-methylpyrrole-2-carboxamid e
  • MW: 657.159 | Formula: C30H34ClFN8O4S
  • H donors: 4 H acceptors: 4 LogP: 2.51 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: FC1CCN(CC1)CCNC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1sccc1Cl
  • InChi: 1S/C30H34ClFN8O4S/c1-37-15-19(12-23(37)27(41)33-7-10-40-8-4-18(32)5-9-40)34-28(42)24-13-20(16-38(24)2)35-29(43)25-14-21(17-39(25)3)36-30(44)26-22(31)6-11-45-26/h6,11-18H,4-5,7-10H2,1-3H3,(H,33,41)(H,34,42)(H,35,43)(H,36,44)
  • InChiKey: YQTAVNSCHISTNW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-N-[2-(4-fluoro-1-piperidyl)ethyl]-1-methyl-pyrrole-2-carboxamide
  • 4-[[[4-[[[4-[[(3-chloro-2-thienyl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-N-[2-(4-fluoro-1-piperidinyl)ethyl]-1-methyl-2-pyrrolecarboxamide
  • 4-[[4-[[4-[(3-chlorothiophen-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-N-[2-(4-fluoropiperidin-1-yl)ethyl]-1-methyl-pyrrole-2-carboxamide
  • 4-[[4-[[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-N-[2-(4-fluoropiperidino)ethyl]-1-methyl-pyrrole-2-carboxamide

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
Schistosoma mansoni hypothetical protein 0.0033 0.0159 0.0154
Loa Loa (eye worm) hypothetical protein 0.0073 0.0556 0.2206
Brugia malayi Carboxylesterase family protein 0.0046 0.0282 0.0868
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0319 0.1022
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0033 0.0159 0.0617
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0071 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0046 0.0282 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Echinococcus granulosus dro:myosuppressin receptor 0.0033 0.0159 0.0617
Echinococcus multilocularis neuropeptide receptor 0.0033 0.0159 0.0617
Loa Loa (eye worm) G-protein coupled receptor 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0071 0.2234
Echinococcus granulosus acetylcholinesterase 0.027 0.2503 1
Brugia malayi Carboxylesterase family protein 0.0046 0.0282 0.0868
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0282 0.0277
Brugia malayi Dopamine receptor 0.0033 0.0159 0.0365
Schistosoma mansoni neuropeptide receptor 0.0033 0.0159 0.0154
Echinococcus granulosus rhodopsin orphan GPCR 0.0033 0.0159 0.0617
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0071 0.2234
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0288 0.1132
Schistosoma mansoni neuropeptide F-like receptor 0.0033 0.0159 0.0154
Brugia malayi Dopamine receptor protein 2 0.0033 0.0159 0.0365
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Onchocerca volvulus 0.0033 0.0159 0.3568
Trichomonas vaginalis spcc417.12 protein, putative 0.0046 0.0282 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Brugia malayi Dopamine receptor protein 1 0.0033 0.0159 0.0365
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0033 0.0159 0.0365
Loa Loa (eye worm) TYRA-2 protein 0.0033 0.0159 0.0617
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0329 0.1297
Echinococcus granulosus BC026374 protein S09 family 0.0046 0.0282 0.1107
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0.0282 1
Onchocerca volvulus 0.0033 0.0159 0.3568
Brugia malayi ORL1-like opioid receptor 0.0033 0.0159 0.0365
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0171 0.0414
Brugia malayi neuropeptide F receptor 0.0033 0.0159 0.0365
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0033 0.0159 0.0154
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0071 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0071 0.2234
Loa Loa (eye worm) hypothetical protein 0.0024 0.0071 0.0261
Loa Loa (eye worm) hypothetical protein 0.0243 0.2228 0.8898
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0033 0.0159 0.0154
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0033 0.0159 0.0365
Echinococcus granulosus neuropeptide FF receptor 2 0.0033 0.0159 0.0617
Echinococcus multilocularis g-protein coupled receptor 0.0033 0.0159 0.0617
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.001 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0033 0.0159 0.0365
Mycobacterium ulcerans carboxylesterase, LipT 0.0046 0.0282 1
Onchocerca volvulus 0.0033 0.0159 0.3568
Echinococcus granulosus neuropeptides capa receptor 0.0033 0.0159 0.0617
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0033 0.0159 0.0154
Brugia malayi sulfakinin receptor protein 0.0033 0.0159 0.0365
Brugia malayi G-protein coupled receptor 0.0033 0.0159 0.0365
Schistosoma mansoni opsin-like receptor 0.0033 0.0159 0.0154
Brugia malayi RE15519p 0.0033 0.0159 0.0365
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Echinococcus granulosus sex peptide receptor 0.0033 0.0159 0.0617
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0033 0.0159 0.0617
Brugia malayi hypothetical protein 0.0033 0.0159 0.0365
Echinococcus multilocularis acetylcholinesterase 0.027 0.2503 1
Echinococcus multilocularis somatostatin receptor 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0046 0.0282 0.1107
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0033 0.0159 0.0617
Echinococcus granulosus neuropeptides capa receptor 0.0033 0.0159 0.0617
Schistosoma mansoni neuroligin 3 (S09 family) 0.0046 0.0282 0.0277
Echinococcus multilocularis neuropeptide Y receptor 0.0033 0.0159 0.0617
Schistosoma mansoni hypothetical protein 0.0035 0.0171 0.0166
Onchocerca volvulus 0.0049 0.0319 1
Echinococcus granulosus survival motor neuron protein 1 0.0243 0.2228 0.8898
Echinococcus multilocularis allatostatin A receptor 0.0033 0.0159 0.0617
Brugia malayi AKH receptor 0.0033 0.0159 0.0365
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0071 0.2505
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0288 0.1132
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0033 0.0159 0.0617
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.0159 0.0154
Brugia malayi Tachykinin-like peptides receptor 99D 0.0033 0.0159 0.0365
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0288 0.0894
Schistosoma mansoni hypothetical protein 0.0021 0.0042 0.0037
Echinococcus multilocularis g protein coupled receptor 0.0033 0.0159 0.0617
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0033 0.0159 0.0154
Schistosoma mansoni amine GPCR 0.0033 0.0159 0.0154
Onchocerca volvulus 0.0046 0.0282 0.8495
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Schistosoma mansoni biogenic amine (5HT) receptor 0.0033 0.0159 0.0154
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0199 0.0776
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.027 0.2503 0.2499
Schistosoma mansoni myosin xvIII 0.0033 0.0159 0.0154
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0329 0.1063
Echinococcus granulosus hypothetical protein 0.0033 0.0159 0.0617
Brugia malayi Carboxylesterase family protein 0.0046 0.0282 0.0868
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0071 0.2505
Loa Loa (eye worm) hypothetical protein 0.0046 0.0282 0.1107
Brugia malayi hypothetical protein 0.0033 0.0159 0.0365
Echinococcus multilocularis rhodopsin orphan GPCR 0.0033 0.0159 0.0617
Echinococcus granulosus peptide allatostatin:somatostatin 0.0033 0.0159 0.0617
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.001 0.5
Schistosoma mansoni histamine h1 receptor 0.0033 0.0159 0.0154
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0046 0.0282 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0033 0.0159 0.0617
Toxoplasma gondii MAPEG family protein 0.0236 0.2161 0.5
Echinococcus granulosus fmrfamide receptor 0.0033 0.0159 0.0617
Brugia malayi hypothetical protein 0.0033 0.0159 0.0365
Brugia malayi Serotonin receptor 0.0033 0.0159 0.0365
Echinococcus granulosus alpha 1A adrenergic receptor 0.0033 0.0159 0.0617
Loa Loa (eye worm) carboxylesterase 0.0046 0.0282 0.1107
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0046 0.0282 0.1107
Loa Loa (eye worm) neuropeptide F receptor 0.0033 0.0159 0.0617
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0071 0.5
Onchocerca volvulus 0.0046 0.0282 0.8495
Schistosoma mansoni survival motor neuron protein 0.0049 0.0319 0.0314
Loa Loa (eye worm) hypothetical protein 0.0024 0.0071 0.0261
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0071 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.0159 0.0154
Echinococcus granulosus neuropeptide s receptor 0.0033 0.0159 0.0617
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0062 0.0226
Loa Loa (eye worm) carboxylesterase 0.027 0.2503 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0282 0.1107
Echinococcus granulosus 7tm_1 domain containing protein 0.0033 0.0159 0.0617
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0062 0.0226
Brugia malayi putative neuropeptide receptor 0.0033 0.0159 0.0365
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.0159 0.0154
Echinococcus granulosus rhodopsin orphan GPCR 0.0033 0.0159 0.0617
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0033 0.0159 0.0154
Echinococcus granulosus rhodopsin orphan GPCR 0.0033 0.0159 0.0617
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.0159 0.0154
Loa Loa (eye worm) hypothetical protein 0.0018 0.001 0.0018
Echinococcus granulosus biogenic amine 5HT receptor 0.0033 0.0159 0.0617
Echinococcus multilocularis fmrfamide receptor 0.0033 0.0159 0.0617
Echinococcus granulosus serotonin receptor 0.0033 0.0159 0.0617
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0071 0.2234
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0071 0.2234
Echinococcus multilocularis neuropeptide receptor A26 0.0033 0.0159 0.0617
Onchocerca volvulus 0.0033 0.0159 0.3568
Onchocerca volvulus 0.0046 0.0282 0.8495
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0288 0.1132
Echinococcus granulosus tm gpcr rhodopsin 0.0033 0.0159 0.0617
Schistosoma mansoni gliotactin 0.0046 0.0282 0.0277
Echinococcus granulosus g protein coupled receptor 0.0033 0.0159 0.0617
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0288 0.1132
Echinococcus granulosus 7TM GPCR rhodopsin 0.0033 0.0159 0.0617
Echinococcus granulosus neuropeptide receptor 0.0033 0.0159 0.0617
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.0159 0.0154
Echinococcus multilocularis neuropeptide FF receptor 2 0.0033 0.0159 0.0617
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.0159 0.0154
Echinococcus granulosus neuropeptide Y receptor 0.0033 0.0159 0.0617
Brugia malayi putative neuropeptide receptor NPR1 0.0033 0.0159 0.0365
Echinococcus multilocularis carboxylesterase 5A 0.027 0.2503 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0033 0.0159 0.0617
Brugia malayi neuropeptide F receptor 0.0033 0.0159 0.0365
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0033 0.0159 0.0365
Echinococcus granulosus microsomal glutathione S transferase 3 0.0236 0.2161 0.863
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Echinococcus granulosus g-protein coupled receptor 0.0033 0.0159 0.0617
Echinococcus granulosus biogenic amine 5HT receptor 0.0033 0.0159 0.0617
Echinococcus multilocularis G protein coupled receptor 139 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Echinococcus multilocularis dro:myosuppressin receptor 0.0033 0.0159 0.0617
Echinococcus multilocularis sex peptide receptor 0.0033 0.0159 0.0617
Schistosoma mansoni neuropeptide receptor 0.0033 0.0159 0.0154
Echinococcus granulosus tachykinin peptides receptor 99D 0.0033 0.0159 0.0617
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0071 0.2234
Schistosoma mansoni opsin-like receptor 0.0033 0.0159 0.0154
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0033 0.0159 0.0617
Onchocerca volvulus 0.0033 0.0159 0.3568
Brugia malayi Bromodomain containing protein 0.004 0.0223 0.0628
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0046 0.0282 0.1107
Brugia malayi larval opioid receptor 0.0033 0.0159 0.0365
Schistosoma mansoni neuropeptide F-like receptor 0.0033 0.0159 0.0154
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0033 0.0159 0.0154
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0329 0.1063
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0033 0.0159 0.0617
Echinococcus multilocularis serotonin receptor 0.0033 0.0159 0.0617
Echinococcus granulosus neuroligin 0.0046 0.0282 0.1107
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0033 0.0159 0.0617
Echinococcus multilocularis neuropeptides capa receptor 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Echinococcus granulosus g protein coupled receptor 0.0033 0.0159 0.0617
Echinococcus granulosus orexin receptor type 2 0.0033 0.0159 0.0617
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.0159 0.0154
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0033 0.0159 0.0154
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0288 0.0283
Schistosoma mansoni amine GPCR 0.0033 0.0159 0.0154
Onchocerca volvulus 0.0033 0.0159 0.3568
Echinococcus multilocularis rhodopsin orphan GPCR 0.0033 0.0159 0.0617
Onchocerca volvulus 0.0033 0.0159 0.3568
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.0159 0.0154
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0236 0.2161 0.863
Echinococcus granulosus tm gpcr rhodopsin 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0042 0.0248 0.0974
Echinococcus multilocularis rhodopsin orphan GPCR 0.0033 0.0159 0.0617
Brugia malayi hypothetical protein 0.0033 0.0159 0.0365
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0288 0.1132
Echinococcus multilocularis neuropeptide s receptor 0.0033 0.0159 0.0617
Schistosoma mansoni biogenic amine receptor 0.0033 0.0159 0.0154
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0033 0.0159 0.0617
Loa Loa (eye worm) melatonin receptor type 1A 0.0033 0.0159 0.0617
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0046 0.0282 0.1107
Onchocerca volvulus 0.0033 0.0159 0.3568
Schistosoma mansoni biogenic amine receptor 0.0033 0.0159 0.0154
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0033 0.0159 0.0617
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0033 0.0159 0.0617
Echinococcus granulosus para nitrobenzyl esterase 0.0046 0.0282 0.1107
Onchocerca volvulus 0.0033 0.0159 0.3568
Loa Loa (eye worm) acetylcholinesterase 1 0.027 0.2503 1
Echinococcus granulosus zinc finger protein 0.002 0.0031 0.0104
Echinococcus multilocularis rhodopsin orphan GPCR 0.0033 0.0159 0.0617
Onchocerca volvulus 0.0033 0.0159 0.3568
Loa Loa (eye worm) hypothetical protein 0.0046 0.0282 0.1107
Brugia malayi G protein-coupled receptor 0.0033 0.0159 0.0365
Loa Loa (eye worm) hypothetical protein 0.0018 0.001 0.0018
Loa Loa (eye worm) hypothetical protein 0.0046 0.0282 0.1107
Echinococcus granulosus allatostatin A receptor 0.0033 0.0159 0.0617
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0071 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0.0282 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0033 0.0159 0.0617
Echinococcus multilocularis BC026374 protein (S09 family) 0.0046 0.0282 0.1107
Brugia malayi Carboxylesterase family protein 0.027 0.2503 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0033 0.0159 0.0617
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Echinococcus granulosus tm gpcr rhodopsin 0.0033 0.0159 0.0617
Echinococcus multilocularis para nitrobenzyl esterase 0.0046 0.0282 0.1107
Schistosoma mansoni bromodomain containing protein 0.0066 0.048 0.0475
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Echinococcus granulosus neuropeptide receptor 0.0033 0.0159 0.0617
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0282 0.0277
Schistosoma mansoni acetylcholinesterase 0.0046 0.0282 0.0277
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Onchocerca volvulus 0.0046 0.0282 0.8495
Brugia malayi Melatonin receptor type 1A 0.0033 0.0159 0.0365
Schistosoma mansoni hypothetical protein 0.0033 0.0159 0.0154
Echinococcus granulosus G protein coupled receptor 139 0.0033 0.0159 0.0617
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.001 0.0348
Brugia malayi hypothetical protein 0.0033 0.0159 0.0365
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0071 0.2234
Echinococcus multilocularis orexin receptor type 2 0.0033 0.0159 0.0617
Echinococcus multilocularis rhodopsin orphan GPCR 0.0033 0.0159 0.0617
Brugia malayi GnHR receptor homolog 0.0033 0.0159 0.0365
Echinococcus granulosus rhodopsin orphan GPCR 0.0033 0.0159 0.0617
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0042 0.0147
Loa Loa (eye worm) hypothetical protein 0.004 0.0224 0.0876
Schistosoma mansoni neuropeptide receptor 0.0033 0.0159 0.0154
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0033 0.0159 0.0154
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0033 0.0159 0.0617
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0033 0.0159 0.0154
Schistosoma mansoni hypothetical protein 0.0033 0.0159 0.0154
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0033 0.0159 0.0617
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0033 0.0159 0.0154
Onchocerca volvulus 0.0033 0.0159 0.3568
Loa Loa (eye worm) hypothetical protein 0.0046 0.0282 0.1107
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Schistosoma mansoni biogenic amine (5HT) receptor 0.0033 0.0159 0.0154
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Schistosoma mansoni zinc finger protein 0.002 0.0031 0.0026
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0033 0.0159 0.3568
Brugia malayi hypothetical protein 0.0033 0.0159 0.0365
Echinococcus multilocularis rhodopsin orphan GPCR 0.0033 0.0159 0.0617
Mycobacterium ulcerans hypothetical protein 0.0024 0.0071 0.2234
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0033 0.0159 0.0617
Echinococcus multilocularis fmrfamide receptor 0.0033 0.0159 0.0617
Brugia malayi Carboxylesterase family protein 0.0046 0.0282 0.0868
Echinococcus multilocularis rhodopsin orphan GPCR 0.0033 0.0159 0.0617
Schistosoma mansoni microsomal glutathione s-transferase 0.0236 0.2161 0.2157
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Brugia malayi G protein-coupled receptor F59B2.13 0.0033 0.0159 0.0365
Brugia malayi follicle stimulating hormone receptor 0.0033 0.0159 0.0365
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0443 0.1753
Schistosoma mansoni BC026374 protein (S09 family) 0.0046 0.0282 0.0277
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0282 0.0277
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Brugia malayi hypothetical protein 0.0046 0.0282 0.0868
Onchocerca volvulus 0.0033 0.0159 0.3568
Loa Loa (eye worm) hypothetical protein 0.005 0.0329 0.1297
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0071 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0033 0.0159 0.0154
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0012 0.0025
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0018 0.001 0.0018
Brugia malayi hypothetical protein 0.0033 0.0159 0.0365
Echinococcus granulosus somatostatin receptor 0.0033 0.0159 0.0617
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0033 0.0159 0.0617
Loa Loa (eye worm) carboxylesterase 0.0046 0.0282 0.1107
Onchocerca volvulus 0.0033 0.0159 0.3568
Echinococcus granulosus g protein coupled receptor 0.0033 0.0159 0.0617
Brugia malayi hypothetical protein 0.0243 0.2228 0.8869
Onchocerca volvulus 0.0046 0.0282 0.8495
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Schistosoma mansoni alpha-1 adrenergic receptor 0.0033 0.0159 0.0154
Brugia malayi hypothetical protein 0.0033 0.0159 0.0365
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.0159 0.0154
Echinococcus granulosus neuropeptide Y receptor 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.027 0.2503 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0071 0.0261
Echinococcus multilocularis g protein coupled receptor 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Onchocerca volvulus 0.0033 0.0159 0.3568
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Brugia malayi hypothetical protein 0.0033 0.0159 0.0365
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0288 0.0283
Schistosoma mansoni hypothetical protein 0.0033 0.0159 0.0154
Echinococcus granulosus neuropeptide receptor A26 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0044 0.0268 0.1052
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0033 0.0159 0.0154
Schistosoma mansoni opsin-like receptor 0.0033 0.0159 0.0154
Schistosoma mansoni adenoreceptor 0.0033 0.0159 0.0154
Echinococcus multilocularis neuropeptide Y receptor 0.0033 0.0159 0.0617
Loa Loa (eye worm) G-protein coupled receptor 0.0033 0.0159 0.0617
Onchocerca volvulus 0.0033 0.0159 0.3568
Loa Loa (eye worm) hypothetical protein 0.027 0.2503 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0033 0.0159 0.0617
Schistosoma mansoni amine GPCR 0.0033 0.0159 0.0154
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0033 0.0159 0.0617
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.001 0.5
Brugia malayi hypothetical protein 0.0033 0.0159 0.0365
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Onchocerca volvulus 0.0033 0.0159 0.3568
Schistosoma mansoni hypothetical protein 0.0049 0.0319 0.0314
Schistosoma mansoni biogenic amine receptor 0.0033 0.0159 0.0154
Brugia malayi PHD-finger family protein 0.0026 0.0086 0.0063
Loa Loa (eye worm) hypothetical protein 0.0018 0.001 0.0018
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0033 0.0159 0.0365
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Echinococcus granulosus rhodopsin orphan GPCR 0.0033 0.0159 0.0617
Onchocerca volvulus 0.0033 0.0159 0.3568
Echinococcus granulosus carboxylesterase 5A 0.027 0.2503 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0018 0.001 0.0018
Echinococcus multilocularis zinc finger protein 0.002 0.0031 0.0104
Echinococcus multilocularis G-protein coupled receptor, putative 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0033 0.0159 0.0154
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0288 0.0283
Echinococcus granulosus rhodopsin orphan GPCR 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Schistosoma mansoni amine GPCR 0.0033 0.0159 0.0154
Echinococcus multilocularis neuroligin 0.0046 0.0282 0.1107
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0199 0.0776
Echinococcus multilocularis survival motor neuron protein 1 0.0243 0.2228 0.8898
Echinococcus multilocularis acetylcholinesterase 0.027 0.2503 1
Brugia malayi G-protein coupled receptor 0.0033 0.0159 0.0365
Schistosoma mansoni amine GPCR 0.0033 0.0159 0.0154
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0443 0.1753
Brugia malayi Carboxylesterase family protein 0.027 0.2503 1
Echinococcus multilocularis g protein coupled receptor 0.0033 0.0159 0.0617
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0071 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0033 0.0159 0.0154
Echinococcus multilocularis neuropeptide receptor 0.0033 0.0159 0.0617
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0033 0.0159 0.0617
Echinococcus multilocularis neuropeptides capa receptor 0.0033 0.0159 0.0617
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0062 0.0056
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Onchocerca volvulus Neuropeptide F receptor homolog 0.0033 0.0159 0.3568
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0033 0.0159 0.0617
Schistosoma mansoni neuropeptide receptor 0.0033 0.0159 0.0154
Schistosoma mansoni growth hormone secretagogue receptor 0.0033 0.0159 0.0154
Brugia malayi Bromodomain containing protein 0.0078 0.06 0.2178
Brugia malayi Serotonin receptor 0.0033 0.0159 0.0365
Echinococcus multilocularis serotonin receptor 0.0033 0.0159 0.0617
Echinococcus granulosus acetylcholinesterase 0.027 0.2503 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0159 0.0617
Loa Loa (eye worm) hypothetical protein 0.0035 0.0171 0.0665
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0071 0.5

Activities

Activity type Activity value Assay description Source Reference
Acute tolerability (functional) Acute tolerability of compound in 4 ICR female mice after intravenous administration was determined; Lethality 1/5 ChEMBL. 12930152
Acute tolerability (functional) 0 Acute tolerability of compound in 4 ICR female mice after intravenous administration was determined; Lethality 1/5 ChEMBL. 12930152
Kd app (binding) = 5 nM Apperent binding affinity against DNA (5'-ACAATTAA-3') was determined using DNase I footprinting titration method ChEMBL. 12930152
MIC (functional) = 0.031 ug ml-1 In vitro antimicrobial activity against penicillin-intermediate S. pneumoniae 49619 ChEMBL. 12930152
MIC (functional) = 0.125 ug ml-1 In vitro antimicrobial activity against penicillin resistant S. pneumoniae 51422 ChEMBL. 12930152
MIC (functional) = 0.5 ug ml-1 In vitro antimicrobial activity against vancomycin-resistant E. faecalis 51559 ChEMBL. 12930152
MIC (functional) = 1 ug ml-1 In vitro antimicrobial activity against methicillin resistant S. aureus 27660 ChEMBL. 12930152
MIC (functional) = 1 ug ml-1 In vitro antimicrobial activity against vancomycin-susceptible E. faecalis 29212 ChEMBL. 12930152
MIC (functional) = 1 ug ml-1 In vitro antimicrobial activity against Bacillus cereus 11778 ChEMBL. 12930152
MIC (functional) > 32 ug ml-1 In vitro antimicrobial activity against Candida albicans 38247 ChEMBL. 12930152
MIC (functional) > 32 ug ml-1 In vitro antimicrobial activity against Candida albicans 38247 ChEMBL. 12930152

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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