Detailed information for compound 1502646

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 538.511 | Formula: C29H33Cl2N5O
  • H donors: 1 H acceptors: 2 LogP: 5.27 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: CNC(=O)c1cnc(c(c1)Cl)N1CCN([C@H](C1)c1ccccc1)C1CCN(CC1)Cc1ccc(cc1)Cl
  • InChi: 1S/C29H33Cl2N5O/c1-32-29(37)23-17-26(31)28(33-18-23)35-15-16-36(27(20-35)22-5-3-2-4-6-22)25-11-13-34(14-12-25)19-21-7-9-24(30)10-8-21/h2-10,17-18,25,27H,11-16,19-20H2,1H3,(H,32,37)/t27-/m1/s1
  • InChiKey: BQGPSOUAQNSHSM-HHHXNRCGSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chemokine (C-X-C motif) receptor 3 Starlite/ChEMBL References

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
Mycobacterium tuberculosis Conserved protein 0.0028 0.0278 0.5
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0204 0.3877 1
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0088 0.1504 1
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0088 0.1504 0.1461
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0028 0.0278 0.1848
Toxoplasma gondii DNA topoisomerase 2, putative 0.0028 0.0278 0.0595
Loa Loa (eye worm) AGC/NDR protein kinase 0.0017 0.005 0.005
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0028 0.0278 0.5
Loa Loa (eye worm) hypothetical protein 0.0504 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0023 0.0177 0.0177
Echinococcus granulosus FTZ F1 alpha 0.0023 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0017 0.005 0.005
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0088 0.1504 0.1504
Brugia malayi excitatory GABA receptor EXP-1A 0.0019 0.0093 0.0043
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0019 0.0093 0.0093
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0088 0.1504 1
Schistosoma mansoni nAChR subunit 0.0019 0.0093 0.0093
Trichomonas vaginalis heat shock protein, putative 0.0028 0.0278 0.1608
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0088 0.1504 0.1504
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0109 0.1937 0.1937
Onchocerca volvulus 0.0023 0.0177 0.1179
Schistosoma mansoni nAChR subunit 0.0019 0.0093 0.0093
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0028 0.0278 0.5
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0028 0.0278 0.1608
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0023 0.0177 0.0177
Schistosoma mansoni pyruvate dehydrogenase 0.0476 0.9427 0.9427
Brugia malayi Cation transporter family protein 0.0019 0.0093 0.0043
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0028 0.0278 0.1608
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 0.0177 0.0128
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0028 0.0278 0.5
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0028 0.0278 0.0229
Echinococcus granulosus heat shock protein 0.0028 0.0278 0.0278
Brugia malayi Synaptic glycoprotein SC2 0.0088 0.1504 0.1461
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0028 0.0278 0.5
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0504 1 1
Echinococcus multilocularis protein kinase c iota type 0.0029 0.0294 0.0294
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.0093 0.0093
Trypanosoma brucei heat shock protein, putative 0.0028 0.0278 0.0229
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0177 0.0128
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Schistosoma mansoni heat shock protein 0.0028 0.0278 0.0278
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0019 0.0093 0.0043
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Chlamydia trachomatis DNA gyrase subunit B 0.0028 0.0278 0.5
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0088 0.1504 0.1261
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0028 0.0278 0.0278
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0177 0.0177
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0028 0.0278 0.1608
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0023 0.0177 0.0177
Schistosoma mansoni nAChR subunit 0.0019 0.0093 0.0093
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.0093 0.0093
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0177 0.0177
Schistosoma mansoni steroid hormone receptor ad4bp 0.0023 0.0177 0.0177
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0019 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Mycobacterium tuberculosis Probable two component sensor kinase 0.0028 0.0278 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.0177 0.0177
Trichomonas vaginalis receptor histidine kinase, putative 0.0028 0.0278 0.1608
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0196 0.3707 0.3527
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0028 0.0278 0.5
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0088 0.1504 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0177 0.0128
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0078 0.1297 0.1297
Loa Loa (eye worm) hypothetical protein 0.0028 0.0278 0.0278
Echinococcus granulosus Protein kinase C brain isozyme 0.0109 0.1937 0.1937
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0019 0.0093 0.0093
Schistosoma mansoni serine/threonine protein kinase 0.0109 0.1937 0.1937
Trypanosoma brucei heat shock protein 90, putative 0.0028 0.0278 0.0229
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0017 0.005 0.005
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0019 0.0093 0.0093
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0019 0.0093 0.0093
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0345 0.0345
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0176 0.3304 0.3113
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0019 0.0093 0.0043
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0019 0.0093 0.0093
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0102 0.1792 0.1751
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0019 0.0093 0.0043
Loa Loa (eye worm) hypothetical protein 0.0096 0.1656 0.1656
Trypanosoma brucei heat shock protein, putative 0.0028 0.0278 0.0229
Echinococcus multilocularis protein kinase c epsilon type 0.0031 0.0345 0.0345
Loa Loa (eye worm) ACC-1 protein 0.0019 0.0093 0.0093
Brugia malayi nuclear receptor NHR-88 0.0023 0.0177 0.0128
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0023 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Schistosoma mansoni thyroid hormone receptor 0.0023 0.0177 0.0177
Trypanosoma brucei heat shock protein, putative 0.0028 0.0278 0.0229
Echinococcus multilocularis thyroid hormone receptor alpha 0.0023 0.0177 0.0177
Brugia malayi nuclear hormone receptor 0.0023 0.0177 0.0128
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0093 0.0043
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0028 0.0278 0.0229
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.0093 0.0043
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0177 0.0128
Echinococcus multilocularis nAChR subunit 0.0019 0.0093 0.0093
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.0093 0.0043
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0028 0.0278 0.0229
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0023 0.0177 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0023 0.0177 0.0177
Schistosoma mansoni nAChR subunit 0.0019 0.0093 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0177 0.0128
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0017 0.005 0.005
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0028 0.0278 0.5
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0017 0.005 0.005
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0028 0.0278 0.1848
Trypanosoma brucei DNA topoisomerase ii 0.0028 0.0278 0.0229
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0088 0.1504 0.1504
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0028 0.0278 0.5
Loa Loa (eye worm) endoplasmin 0.0028 0.0278 0.0278
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 0.0177 0.0128
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Trypanosoma brucei Sterol methyltransferase, putative 0.0196 0.3707 0.3675
Echinococcus multilocularis serine threonine protein kinase 0.0097 0.1693 0.1693
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0023 0.0177 0.0177
Plasmodium falciparum polyprenol reductase, putative 0.0088 0.1504 1
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0176 0.3304 0.327
Echinococcus granulosus glycine receptor subunit beta 0.0019 0.0093 0.0093
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0028 0.0278 0.5
Schistosoma mansoni pyruvate dehydrogenase 0.0504 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.0093 0.0093
Schistosoma mansoni nAChR subunit 0.0019 0.0093 0.0093
Trypanosoma brucei heat shock protein, putative 0.0028 0.0278 0.0229
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0088 0.1504 0.3799
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0019 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0023 0.0177 0.0177
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0017 0.005 0.005
Schistosoma mansoni DNA topoisomerase II 0.0028 0.0278 0.0278
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0019 0.0093 0.0043
Trichomonas vaginalis AGC family protein kinase 0.0017 0.005 0.0051
Loa Loa (eye worm) hypothetical protein 0.0023 0.0177 0.0177
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0093 0.0043
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0017 0.005 0.005
Loa Loa (eye worm) steroid hormone receptor 0.0023 0.0177 0.0177
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0028 0.0278 0.5
Entamoeba histolytica DNA topoisomerase II, putative 0.0028 0.0278 0.1565
Loa Loa (eye worm) TOPoisomerase family member 0.0028 0.0278 0.0278
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0088 0.1504 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0177 0.0177
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0088 0.1504 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.1297 0.1297
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0019 0.0093 0.0093
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0088 0.1504 0.1261
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0019 0.0093 0.0093
Entamoeba histolytica heat shock protein 90, putative 0.0028 0.0278 0.1565
Echinococcus granulosus serine:threonine protein kinase N2 0.0017 0.005 0.005
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0093 0.0043
Schistosoma mansoni nAChR subunit 0.0019 0.0093 0.0093
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 0.0177 0.0128
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0019 0.0093 0.0093
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0019 0.0093 0.0093
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.005 0.005
Leishmania major sterol 24-c-methyltransferase, putative 0.0196 0.3707 0.3527
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0017 0.005 0.005
Trichomonas vaginalis AGC family protein kinase 0.0017 0.005 0.0051
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0177 0.0128
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.0093 0.0093
Brugia malayi Steroid receptor seven-up type 2 0.0023 0.0177 0.0128
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 0.0177 0.0128
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0028 0.0278 0.5
Entamoeba histolytica hypothetical protein 0.0088 0.1504 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.0093 0.0043
Brugia malayi ecdysteroid receptor 0.0023 0.0177 0.0128
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.009 0.1541 0.1541
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 0.0177 0.0128
Brugia malayi Cation transporter family protein 0.0019 0.0093 0.0043
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.0093 0.0093
Leishmania major sterol 24-c-methyltransferase, putative 0.0196 0.3707 0.3527
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0176 0.3304 0.3113
Schistosoma mansoni RAR-like nuclear receptor 0.0023 0.0177 0.0177
Trypanosoma brucei heat shock protein, putative 0.0028 0.0278 0.0229
Echinococcus granulosus NDR protein kinase 0.0017 0.005 0.005
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0028 0.0278 0.1608
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0019 0.0093 0.0093
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0019 0.0093 0.0093
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0017 0.005 0.005
Schistosoma mansoni nuclear hormone receptor 0.0023 0.0177 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 0.0177 0.0128
Trypanosoma brucei Heat shock protein 83, putative 0.0028 0.0278 0.0229
Loa Loa (eye worm) hypothetical protein 0.0023 0.0177 0.0177
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0196 0.3707 0.3527
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0017 0.005 0.005
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0019 0.0093 0.0093
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0023 0.0177 0.0177
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0019 0.0093 0.0043
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0177 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0023 0.0177 0.0177
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0093 0.0043
Onchocerca volvulus 0.0019 0.0093 0.0617
Onchocerca volvulus Putative nachr subunit 0.0019 0.0093 0.0617
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0019 0.0093 0.0093
Trichomonas vaginalis receptor histidine kinase, putative 0.0028 0.0278 0.1608
Trichomonas vaginalis AGC family protein kinase 0.0017 0.005 0.0051
Schistosoma mansoni atypical protein kinase C 0.0029 0.0294 0.0294
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0028 0.0278 0.5
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0019 0.0093 0.0093
Entamoeba histolytica heat shock protein 90, putative 0.0028 0.0278 0.1565
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0088 0.1504 1
Trypanosoma brucei heat shock protein, putative 0.0028 0.0278 0.0229
Leishmania major developmentally regulated phosphoprotein-like protein 0.0504 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0177 0.0128
Trichomonas vaginalis conserved hypothetical protein 0.0088 0.1504 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0023 0.0177 0.0177
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0019 0.0093 0.0043
Toxoplasma gondii heat shock protein HSP90 0.0028 0.0278 0.0595
Echinococcus multilocularis heat shock protein 0.0028 0.0278 0.0278
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0176 0.3304 0.8503
Loa Loa (eye worm) hypothetical protein 0.0088 0.1504 0.1504
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0504 1 1
Trypanosoma brucei heat shock protein 90, putative 0.0028 0.0278 0.0229
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.0093 0.0093
Echinococcus multilocularis glycine receptor subunit beta 0.0019 0.0093 0.0093
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0023 0.0177 0.0177
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.0093 0.0093
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0028 0.0278 0.5
Trichomonas vaginalis endoplasmin, putative 0.0028 0.0278 0.1608
Toxoplasma gondii heat shock protein 90, putative 0.0028 0.0278 0.0595
Mycobacterium leprae Probable two-component sensor kinase 0.0028 0.0278 0.5
Mycobacterium ulcerans hypothetical protein 0.0088 0.1504 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0019 0.0093 0.0043
Brugia malayi Cation transporter family protein 0.0019 0.0093 0.0043
Loa Loa (eye worm) heat shock protein 90 0.0028 0.0278 0.0278
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0023 0.0177 0.0177
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0028 0.0278 0.0595
Echinococcus multilocularis glycine receptor subunit beta 0.0019 0.0093 0.0093
Chlamydia trachomatis DNA gyrase subunit B 0.0028 0.0278 0.5
Trichomonas vaginalis DNA topoisomerase II, putative 0.0028 0.0278 0.1608
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0088 0.1504 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0093 0.0043
Echinococcus multilocularis heat shock protein 90 0.0028 0.0278 0.0278
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0023 0.0177 0.0177
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0088 0.1504 1
Trichomonas vaginalis AGC family protein kinase 0.0017 0.005 0.0051
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0023 0.0177 0.0177
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0023 0.0177 0.0177
Trichomonas vaginalis AGC family protein kinase 0.0017 0.005 0.0051
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0019 0.0093 0.0093
Brugia malayi protein kinase C II. 0.0031 0.0345 0.0296
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0019 0.0093 0.0093
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0028 0.0278 0.5
Echinococcus granulosus glycine receptor subunit beta 0.0019 0.0093 0.0093
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0088 0.1504 0.3799
Loa Loa (eye worm) hypothetical protein 0.0023 0.0177 0.0177
Schistosoma mansoni thyroid hormone receptor 0.0023 0.0177 0.0177
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0017 0.005 0.005
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0088 0.1504 1
Loa Loa (eye worm) LGC-31 protein 0.0019 0.0093 0.0093
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.005 0.005
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0088 0.1504 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0019 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0023 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0023 0.0177 0.0177
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.0093 0.0093
Loa Loa (eye worm) ACC-1 protein 0.0019 0.0093 0.0093
Echinococcus granulosus ecdysone induced protein 78C 0.0023 0.0177 0.0177
Loa Loa (eye worm) AGC/PKN protein kinase 0.0017 0.005 0.005
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0028 0.0278 0.1848
Trichomonas vaginalis AGC family protein kinase 0.0017 0.005 0.0051
Onchocerca volvulus 0.0019 0.0093 0.0617
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0088 0.1504 1
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0028 0.0278 0.5
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0504 1 1
Brugia malayi steroid hormone receptor 0.0023 0.0177 0.0128
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0023 0.0177 0.0177
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0088 0.1504 0.1461
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.005 0.005
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0028 0.0278 0.5
Trichomonas vaginalis AGC family protein kinase 0.0017 0.005 0.0051
Onchocerca volvulus Bile acid receptor homolog 0.0023 0.0177 0.1179
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0017 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0023 0.0177 0.0177
Brugia malayi S-adenosyl-methionine cycloartenol-C24-methyltransferase 0.0096 0.1656 0.1613
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.005 0.005
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0028 0.0278 0.0229
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 0.0177 0.0128
Echinococcus multilocularis ecdysone induced protein 78C 0.0023 0.0177 0.0177
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0196 0.3707 0.3675
Schistosoma mansoni serine/threonine protein kinase 0.0109 0.1937 0.1937
Trichomonas vaginalis AGC family protein kinase 0.0017 0.005 0.0051
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0088 0.1504 0.1261
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0088 0.1504 0.1261
Echinococcus granulosus protein kinase c epsilon type 0.0031 0.0345 0.0345
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0031 0.0345 0.0345
Trichomonas vaginalis sensor histidine kinase, putative 0.0028 0.0278 0.1608
Echinococcus granulosus protein kinase c iota type 0.0029 0.0294 0.0294
Brugia malayi Endoplasmin precursor 0.0028 0.0278 0.0229
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Echinococcus granulosus heat shock protein 90 0.0028 0.0278 0.0278
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0023 0.0177 0.0177
Giardia lamblia Synaptic glycoprotein SC2 0.0088 0.1504 1
Brugia malayi Probable DNA topoisomerase II 0.0028 0.0278 0.0229
Schistosoma mansoni pyruvate dehydrogenase 0.0476 0.9427 0.9427
Schistosoma mansoni heat shock protein 0.0028 0.0278 0.0278
Trypanosoma brucei developmentally regulated phosphoprotein 0.0504 1 1
Echinococcus granulosus synaptic glycoprotein sc2 0.0088 0.1504 0.1504
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0028 0.0278 0.0595
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0028 0.0278 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0019 0.0093 0.0093
Trypanosoma brucei heat shock protein, putative 0.0028 0.0278 0.0229
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0028 0.0278 0.5
Onchocerca volvulus 0.0019 0.0093 0.0617
Echinococcus multilocularis serine:threonine protein kinase N2 0.0017 0.005 0.005
Mycobacterium leprae Probable two component sensor kinase MprB 0.0028 0.0278 0.5
Echinococcus multilocularis RNA directed DNA polymerase 0.0078 0.1297 0.1297
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0028 0.0278 0.5
Brugia malayi Protein kinase c protein 2 0.0093 0.16 0.1557
Trichomonas vaginalis conserved hypothetical protein 0.0088 0.1504 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0177 0.0177
Schistosoma mansoni serine/threonine kinase 0.0017 0.005 0.005
Schistosoma mansoni coup transcription factor 0.0023 0.0177 0.0177
Mycobacterium tuberculosis Possible two component sensor kinase 0.0028 0.0278 0.5
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0028 0.0278 0.1608
Schistosoma mansoni endoplasmin 0.0028 0.0278 0.0278
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0028 0.0278 0.0278
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Echinococcus multilocularis synaptic glycoprotein sc2 0.0088 0.1504 0.1504
Plasmodium vivax polyprenol reductase, putative 0.0088 0.1504 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0093 0.0043
Trichomonas vaginalis heat shock protein, putative 0.0028 0.0278 0.1608
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 0.0177 0.0128
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0196 0.3707 0.3675
Trichomonas vaginalis AGC family protein kinase 0.0017 0.005 0.0051
Echinococcus multilocularis serine:threonine protein kinase 38 0.0017 0.005 0.005
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0023 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0088 0.1504 0.1504
Onchocerca volvulus 0.0019 0.0093 0.0617
Loa Loa (eye worm) AGC/AKT protein kinase 0.0017 0.005 0.005
Onchocerca volvulus Protein ultraspiracle homolog 0.0023 0.0177 0.1179
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0081 0.1356 0.1356
Echinococcus granulosus protein kinase C gamma type 0.0097 0.1693 0.1693
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.0093 0.0093
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0028 0.0278 0.0278
Echinococcus multilocularis serine:threonine protein kinase N2 0.0017 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Echinococcus granulosus nAChR subunit 0.0019 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0088 0.1504 0.1504
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0177 0.0128
Echinococcus granulosus RNA directed DNA polymerase 0.0078 0.1297 0.1297
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0088 0.1504 0.3799
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0023 0.0177 0.0177
Onchocerca volvulus 0.0019 0.0093 0.0617
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0019 0.0093 0.0093
Trypanosoma brucei heat shock protein, putative 0.0028 0.0278 0.0229
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0088 0.1504 0.1461
Echinococcus multilocularis FTZ F1 alpha 0.0023 0.0177 0.0177
Trichomonas vaginalis AGC family protein kinase 0.0017 0.005 0.0051
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0196 0.3707 0.3527
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0019 0.0093 0.0093
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0504 1 1
Onchocerca volvulus 0.0088 0.1504 1
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0019 0.0093 0.0093
Brugia malayi heat shock protein 90 0.0028 0.0278 0.0229
Onchocerca volvulus 0.0019 0.0093 0.0617
Schistosoma mansoni retinoic acid receptor RXR 0.0023 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0019 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0093
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0023 0.0177 0.1179
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0088 0.1504 0.1504
Trichomonas vaginalis AGC family protein kinase 0.0017 0.005 0.0051
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0088 0.1504 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0023 0.0177 0.0177
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0023 0.0177 0.0177
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0028 0.0278 0.5
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0028 0.0278 0.0229
Schistosoma mansoni endoplasmin 0.0028 0.0278 0.0278
Schistosoma mansoni nAChR subunit 0.0019 0.0093 0.0093

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 830 nM Antagonist activity at human CXCR3 ChEMBL. 21277198

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

Bibliographic References

1 literature reference was collected for this gene.

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