Detailed information for compound 1603989

Basic information

Technical information
  • TDR Targets ID: 1603989
  • Name: 4-(hydroxymethyl)-1-[2-(4-methylpiperazin-1-y l)ethylamino]thioxanthen-9-one
  • MW: 383.507 | Formula: C21H25N3O2S
  • H donors: 2 H acceptors: 2 LogP: 3 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1ccc(c2c1sc1ccccc1c2=O)NCCN1CCN(CC1)C
  • InChi: 1S/C21H25N3O2S/c1-23-10-12-24(13-11-23)9-8-22-17-7-6-15(14-25)21-19(17)20(26)16-4-2-3-5-18(16)27-21/h2-7,22,25H,8-14H2,1H3
  • InChiKey: ZBTCQRIBGXSGEE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(hydroxymethyl)-1-[2-(4-methyl-1-piperazinyl)ethylamino]-9-thioxanthenone
  • 4-methylol-1-[2-(4-methylpiperazin-1-yl)ethylamino]thioxanthen-9-one
  • NCIMech_000475
  • NCI60_001294
  • 9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(4-methyl-1-piperazinyl)ethyl]amino]-
  • NSC166381

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0688 0.2634 0.4979
Trypanosoma brucei beta tubulin 0.1329 0.5207 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0054 0.0085 0.0163
Brugia malayi hypothetical protein 0.0688 0.2634 0.2633
Echinococcus granulosus neuropeptide Y receptor 0.0688 0.2634 0.5059
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0109 0.0306 0.0583
Onchocerca volvulus 0.0688 0.2634 0.7032
Echinococcus multilocularis Tubulin beta 2C chain 0.1329 0.5207 1
Schistosoma mansoni tubulin subunit beta 0.1329 0.5207 1
Echinococcus granulosus tubulin beta 4A class IVa 0.1329 0.5207 1
Echinococcus multilocularis neuropeptide receptor 0.0688 0.2634 0.5059
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0688 0.2634 0.5059
Echinococcus multilocularis beta tubulin 0.1329 0.5207 1
Plasmodium falciparum tubulin beta chain 0.1329 0.5207 0.5
Echinococcus multilocularis neuropeptide receptor 0.0688 0.2634 0.5059
Schistosoma mansoni neuropeptide receptor 0.0688 0.2634 0.4979
Echinococcus granulosus tm gpcr rhodopsin 0.0688 0.2634 0.5059
Echinococcus granulosus rhodopsin orphan GPCR 0.0688 0.2634 0.5059
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0109 0.0306 0.0583
Leishmania major beta tubulin 0.1329 0.5207 1
Trypanosoma brucei unspecified product 0.0037 0.0017 0.0028
Brugia malayi beta-tubulin, identical 0.1329 0.5207 0.5206
Echinococcus multilocularis rhodopsin orphan GPCR 0.0688 0.2634 0.5059
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0688 0.2634 0.4979
Schistosoma mansoni amine GPCR 0.0688 0.2634 0.4979
Echinococcus granulosus beta tubulin 0.1329 0.5207 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0045 0.0082
Schistosoma mansoni histamine h1 receptor 0.0688 0.2634 0.4979
Leishmania major beta tubulin 0.1329 0.5207 1
Trypanosoma brucei variant surface glycoprotein (VSG), putative 0.0109 0.0306 0.0583
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0688 0.2634 0.4979
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0959 0.3724 0.7106
Trypanosoma brucei DNA polymerase IV, putative 0.0044 0.0045 0.0082
Schistosoma mansoni neuropeptide receptor 0.0688 0.2634 0.4979
Echinococcus multilocularis rhodopsin orphan GPCR 0.0688 0.2634 0.5059
Trypanosoma brucei calpain, putative 0.0109 0.0306 0.0583
Trypanosoma brucei calpain-like protein, putative 0.0109 0.0306 0.0583
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0688 0.2634 0.4979
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Brugia malayi RE15519p 0.0688 0.2634 0.2633
Loa Loa (eye worm) BEN-1 protein 0.1329 0.5207 1
Loa Loa (eye worm) neuropeptide F receptor 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0033 0.0002 0.0005
Giardia lamblia Beta tubulin 0.1329 0.5207 0.5
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0109 0.0306 0.0583
Brugia malayi Serotonin receptor 0.0688 0.2634 0.2633
Schistosoma mansoni biogenic amine receptor 0.0688 0.2634 0.4979
Echinococcus multilocularis sex peptide receptor 0.0688 0.2634 0.5059
Schistosoma mansoni growth hormone secretagogue receptor 0.0688 0.2634 0.4979
Schistosoma mansoni serine/threonine protein kinase 0.0182 0.0599 0.1006
Brugia malayi neuropeptide F receptor 0.0688 0.2634 0.2633
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0688 0.2634 0.5059
Echinococcus multilocularis g protein coupled receptor 0.0688 0.2634 0.5059
Schistosoma mansoni tubulin subunit beta 0.1329 0.5207 1
Onchocerca volvulus 0.0688 0.2634 0.7032
Schistosoma mansoni neuropeptide receptor 0.0688 0.2634 0.4979
Echinococcus granulosus neuropeptide s receptor 0.0688 0.2634 0.5059
Trichomonas vaginalis tubulin epsilon chain, putative 0.1329 0.5207 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0688 0.2634 0.2633
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0109 0.0306 0.0505
Brugia malayi Tyrosine-protein kinase abl-1 0.0104 0.0288 0.0285
Brugia malayi hypothetical protein 0.0688 0.2634 0.2633
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0054 0.0085 0.0163
Echinococcus granulosus neuropeptide receptor A26 0.0688 0.2634 0.5059
Echinococcus multilocularis tyrosine protein kinase Srms 0.0043 0.0043 0.0083
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Trichomonas vaginalis tubulin beta chain, putative 0.1329 0.5207 1
Schistosoma mansoni hypothetical protein 0.0688 0.2634 0.4979
Echinococcus granulosus tyrosine protein kinase ABL1 0.0223 0.0766 0.1471
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0109 0.0306 0.0505
Echinococcus granulosus neuropeptide receptor 0.0688 0.2634 0.5059
Brugia malayi hypothetical protein 0.0688 0.2634 0.2633
Onchocerca volvulus 0.0688 0.2634 0.7032
Schistosoma mansoni opsin-like receptor 0.0688 0.2634 0.4979
Leishmania major beta tubulin 0.1329 0.5207 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0688 0.2634 0.5059
Onchocerca volvulus 0.0959 0.3724 1
Loa Loa (eye worm) TK/ABL protein kinase 0.0223 0.0766 0.1471
Trypanosoma brucei beta tubulin 0.1329 0.5207 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0688 0.2634 0.5059
Onchocerca volvulus 0.0688 0.2634 0.7032
Schistosoma mansoni opsin-like receptor 0.0688 0.2634 0.4979
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0054 0.0085 0.0163
Onchocerca volvulus 0.0688 0.2634 0.7032
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Echinococcus multilocularis neuropeptide s receptor 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0109 0.0306 0.0583
Schistosoma mansoni tyrosine kinase 0.0054 0.0085 0.0004
Schistosoma mansoni amine GPCR 0.0688 0.2634 0.4979
Echinococcus granulosus 7TM GPCR rhodopsin 0.0688 0.2634 0.5059
Echinococcus granulosus biogenic amine 5HT receptor 0.0688 0.2634 0.5059
Loa Loa (eye worm) neuropeptide F receptor 0.0688 0.2634 0.5059
Trypanosoma brucei DNA polymerase IV, putative 0.0044 0.0045 0.0082
Echinococcus multilocularis rhodopsin orphan GPCR 0.0688 0.2634 0.5059
Schistosoma mansoni neuropeptide F-like receptor 0.0688 0.2634 0.4979
Schistosoma mansoni hypothetical protein 0.0688 0.2634 0.4979
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0045 0.0082
Echinococcus granulosus g-protein coupled receptor 0.0688 0.2634 0.5059
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0688 0.2634 0.4979
Echinococcus multilocularis dna polymerase kappa 0.0044 0.0045 0.0087
Schistosoma mansoni tubulin subunit beta 0.1329 0.5207 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0109 0.0306 0.0505
Brugia malayi sulfakinin receptor protein 0.0688 0.2634 0.2633
Schistosoma mansoni tyrosine kinase 0.0213 0.0723 0.1249
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0054 0.0085 0.0163
Echinococcus granulosus somatostatin receptor 0.0688 0.2634 0.5059
Echinococcus granulosus neuropeptides capa receptor 0.0688 0.2634 0.5059
Loa Loa (eye worm) SH2 domain-containing protein 0.0043 0.0041 0.0079
Leishmania major beta tubulin 0.1329 0.5207 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0688 0.2634 0.5059
Echinococcus granulosus tubulin beta 1 chain 0.1329 0.5207 1
Onchocerca volvulus 0.0688 0.2634 0.7032
Echinococcus multilocularis Tubulin beta 2C chain 0.1329 0.5207 1
Echinococcus granulosus g protein coupled receptor 0.0688 0.2634 0.5059
Echinococcus granulosus tyrosine protein kinase Blk 0.0043 0.0043 0.0083
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Plasmodium vivax tubulin beta chain, putative 0.1329 0.5207 0.5
Onchocerca volvulus 0.0688 0.2634 0.7032
Brugia malayi hypothetical protein 0.0688 0.2634 0.2633
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0688 0.2634 0.5059
Echinococcus multilocularis neuropeptides capa receptor 0.0888 0.3437 0.66
Leishmania major beta tubulin 0.1329 0.5207 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0688 0.2634 0.4979
Schistosoma mansoni tubulin subunit beta 0.1329 0.5207 1
Echinococcus multilocularis tyrosine protein kinase csk 0.0035 0.001 0.002
Echinococcus multilocularis tyrosine protein kinase csk 0.0035 0.001 0.002
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0045 0.0082
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0054 0.0085 0.0163
Echinococcus multilocularis c src tyrosine kinase 0.0056 0.0095 0.0183
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0109 0.0306 0.0505
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1188 0.4643 0.8918
Echinococcus granulosus dro:myosuppressin receptor 0.0688 0.2634 0.5059
Echinococcus granulosus c src tyrosine kinase 0.0056 0.0095 0.0183
Echinococcus multilocularis beta tubulin 0.1329 0.5207 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0688 0.2634 0.4979
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Onchocerca volvulus 0.0688 0.2634 0.7032
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Mycobacterium ulcerans DNA polymerase IV 0.0044 0.0045 0.5
Trichomonas vaginalis tubulin epsilon chain, putative 0.1329 0.5207 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0054 0.0085 0.0163
Echinococcus multilocularis tubulin beta 1 chain 0.1329 0.5207 1
Loa Loa (eye worm) hypothetical protein 0.0959 0.3724 0.7152
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0109 0.0306 0.0583
Loa Loa (eye worm) TK/CSK protein kinase 0.0035 0.001 0.002
Brugia malayi Dopamine receptor 0.0688 0.2634 0.2633
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0688 0.2634 0.4979
Echinococcus granulosus tyrosine protein kinase csk 0.0035 0.001 0.002
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Echinococcus granulosus 7tm_1 domain containing protein 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Schistosoma mansoni amine GPCR 0.0688 0.2634 0.4979
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0054 0.0085 0.0163
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Leishmania major beta tubulin 0.1329 0.5207 1
Echinococcus multilocularis serotonin receptor 0.0688 0.2634 0.5059
Echinococcus granulosus tyrosine protein kinase csk 0.0035 0.001 0.002
Leishmania major beta tubulin 0.1329 0.5207 1
Echinococcus granulosus tm gpcr rhodopsin 0.1188 0.4643 0.8918
Brugia malayi ORL1-like opioid receptor 0.0688 0.2634 0.2633
Echinococcus multilocularis tyrosine protein kinase csk 0.0035 0.001 0.002
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Loa Loa (eye worm) tubulin beta-1 chain 0.1329 0.5207 1
Echinococcus granulosus Tubulin beta 2C chain 0.1329 0.5207 1
Brugia malayi hypothetical protein 0.0688 0.2634 0.2633
Mycobacterium ulcerans DNA polymerase IV 0.0044 0.0045 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0688 0.2634 0.4979
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0688 0.2634 0.4979
Brugia malayi SRC-1 0.0054 0.0085 0.0083
Schistosoma mansoni hypothetical protein 0.0688 0.2634 0.4979
Leishmania major beta tubulin 0.1329 0.5207 1
Schistosoma mansoni neuropeptide receptor 0.0688 0.2634 0.4979
Echinococcus granulosus Tubulin beta 2C chain 0.1329 0.5207 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0104 0.0288 0.0553
Schistosoma mansoni tyrosine kinase 0.0056 0.0095 0.0024
Echinococcus granulosus G protein coupled receptor 139 0.0688 0.2634 0.5059
Schistosoma mansoni hypothetical protein 0.1237 0.484 0.9284
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Loa Loa (eye worm) TYRA-2 protein 0.0688 0.2634 0.5059
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0688 0.2634 0.5059
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0688 0.2634 0.2633
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Brugia malayi G-protein coupled receptor 0.0688 0.2634 0.2633
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.0031 0.0059
Echinococcus granulosus g protein coupled receptor 0.0688 0.2634 0.5059
Echinococcus multilocularis fmrfamide receptor 0.0688 0.2634 0.5059
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0688 0.2634 0.5059
Echinococcus multilocularis g protein coupled receptor 0.0688 0.2634 0.5059
Echinococcus granulosus g protein coupled receptor 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Brugia malayi Tyrosine-protein kinase abl-1 0.0129 0.0389 0.0387
Schistosoma mansoni tubulin subunit beta 0.1329 0.5207 1
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0688 0.2634 0.7032
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0182 0.0599 0.115
Trichomonas vaginalis tubulin alpha chain, putative 0.1329 0.5207 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0688 0.2634 0.5059
Echinococcus multilocularis neuropeptide FF receptor 2 0.1132 0.4418 0.8485
Schistosoma mansoni alpha-1 adrenergic receptor 0.0688 0.2634 0.4979
Trypanosoma cruzi beta tubulin, putative 0.1329 0.5207 1
Echinococcus granulosus neuropeptide FF receptor 2 0.1132 0.4418 0.8485
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0688 0.2634 0.4979
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0688 0.2634 0.5059
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0688 0.2634 0.4979
Trypanosoma brucei hypothetical protein 0.0109 0.0306 0.0583
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0668 0.2553 0.4903
Loa Loa (eye worm) hypothetical protein 0.1132 0.4418 0.8485
Loa Loa (eye worm) G-protein coupled receptor 0.0688 0.2634 0.5059
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0688 0.2634 0.4979
Schistosoma mansoni adenoreceptor 0.0688 0.2634 0.4979
Echinococcus multilocularis tyrosine protein kinase Blk 0.0043 0.0043 0.0083
Echinococcus granulosus Tubulin beta 2C chain 0.1329 0.5207 1
Entamoeba histolytica tubulin family protein 0.1329 0.5207 1
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Echinococcus granulosus fmrfamide receptor 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Echinococcus multilocularis tubulin subunit beta 0.1329 0.5207 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0688 0.2634 0.5059
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0688 0.2634 0.5059
Leishmania major beta tubulin 0.1329 0.5207 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0054 0.0085 0.0163
Echinococcus multilocularis rhodopsin orphan GPCR 0.0688 0.2634 0.5059
Echinococcus granulosus rhodopsin orphan GPCR 0.0688 0.2634 0.5059
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0045 0.0082
Echinococcus multilocularis rhodopsin orphan GPCR 0.0688 0.2634 0.5059
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0045 0.0082
Brugia malayi G-protein coupled receptor 0.0688 0.2634 0.2633
Echinococcus multilocularis neuropeptide Y receptor 0.0688 0.2634 0.5059
Echinococcus multilocularis G-protein coupled receptor, putative 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Leishmania major beta tubulin 0.1329 0.5207 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0688 0.2634 0.5059
Schistosoma mansoni biogenic amine receptor 0.0688 0.2634 0.4979
Leishmania major beta tubulin 0.1329 0.5207 1
Echinococcus multilocularis Tubulin beta 2C chain 0.1329 0.5207 1
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Brugia malayi follicle stimulating hormone receptor 0.0688 0.2634 0.2633
Brugia malayi SH2 domain containing protein 0.0046 0.0053 0.0051
Brugia malayi G protein-coupled receptor F59B2.13 0.0688 0.2634 0.2633
Echinococcus multilocularis Tubulin beta 2C chain 0.1329 0.5207 1
Trichomonas vaginalis tubulin gamma chain, putative 0.1329 0.5207 1
Loa Loa (eye worm) tubulin beta-4 chain 0.1329 0.5207 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0688 0.2634 0.5059
Echinococcus multilocularis dnaJ subfamily B 0.1237 0.484 0.9295
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0045 0.0082
Echinococcus multilocularis neuropeptides capa receptor 0.0688 0.2634 0.5059
Echinococcus multilocularis Tubulin beta 2C chain 0.1329 0.5207 1
Brugia malayi larval opioid receptor 0.0688 0.2634 0.2633
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.0017 0.0028
Echinococcus multilocularis neuropeptide Y receptor 0.0688 0.2634 0.5059
Echinococcus multilocularis G protein coupled receptor 139 0.0688 0.2634 0.5059
Brugia malayi Serotonin receptor 0.0688 0.2634 0.2633
Echinococcus granulosus rhodopsin orphan GPCR 0.0688 0.2634 0.5059
Echinococcus multilocularis tyrosine protein kinase csk 0.0035 0.001 0.002
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0688 0.2634 0.2633
Onchocerca volvulus Neuropeptide F receptor homolog 0.0688 0.2634 0.7032
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0688 0.2634 0.5059
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0688 0.2634 0.2633
Brugia malayi map kinase activated protein kinase protein 2 0.0182 0.0599 0.0597
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0688 0.2634 0.4979
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Toxoplasma gondii beta tubulin 0.1329 0.5207 0.5
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0043 0.0043 0.0083
Loa Loa (eye worm) hypothetical protein 0.0053 0.0083 0.016
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0688 0.2634 0.5059
Onchocerca volvulus 0.0688 0.2634 0.7032
Giardia lamblia Beta tubulin 0.1329 0.5207 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0688 0.2634 0.4979
Echinococcus granulosus sex peptide receptor 0.0688 0.2634 0.5059
Toxoplasma gondii beta-1 tubulin, putative 0.1329 0.5207 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0045 0.0082
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0054 0.0085 0.0163
Echinococcus granulosus rhodopsin orphan GPCR 0.0688 0.2634 0.5059
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0688 0.2634 0.4979
Echinococcus multilocularis tubulin, beta 4A class IVa 0.1329 0.5207 1
Onchocerca volvulus 0.0688 0.2634 0.7032
Brugia malayi G protein-coupled receptor 0.0688 0.2634 0.2633
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0688 0.2634 0.5059
Brugia malayi neuropeptide F receptor 0.0688 0.2634 0.2633
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0688 0.2634 0.4979
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0688 0.2634 0.5059
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0688 0.2634 0.2633
Onchocerca volvulus 0.0688 0.2634 0.7032
Echinococcus granulosus neuropeptide receptor 0.0688 0.2634 0.5059
Echinococcus granulosus hypothetical protein 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Echinococcus granulosus beta tubulin 0.1329 0.5207 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Trichomonas vaginalis tubulin, putative 0.1329 0.5207 1
Brugia malayi hypothetical protein 0.0688 0.2634 0.2633
Loa Loa (eye worm) SRC-1 0.0054 0.0085 0.0163
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Echinococcus multilocularis somatostatin receptor 0.0688 0.2634 0.5059
Brugia malayi hypothetical protein 0.0688 0.2634 0.2633
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0688 0.2634 0.4979
Brugia malayi putative neuropeptide receptor 0.0688 0.2634 0.2633
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0053 0.0083 0.016
Leishmania major beta tubulin 0.1329 0.5207 1
Echinococcus granulosus tm gpcr rhodopsin 0.0688 0.2634 0.5059
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0054 0.0085 0.0163
Leishmania major beta tubulin 0.1329 0.5207 1
Onchocerca volvulus 0.0688 0.2634 0.7032
Echinococcus multilocularis g-protein coupled receptor 0.0688 0.2634 0.5059
Echinococcus granulosus biogenic amine 5HT receptor 0.0688 0.2634 0.5059
Brugia malayi AKH receptor 0.0688 0.2634 0.2633
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0688 0.2634 0.5059
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0688 0.2634 0.5059
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0688 0.2634 0.4979
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0182 0.0599 0.115
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Echinococcus granulosus Tubulin beta 2C chain 0.1329 0.5207 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0109 0.0306 0.0583
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0688 0.2634 0.4979
Leishmania major beta tubulin 0.1329 0.5207 1
Loa Loa (eye worm) tubulin beta chain 0.1329 0.5207 1
Brugia malayi Dopamine receptor protein 2 0.0688 0.2634 0.2633
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0109 0.0306 0.0505
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0688 0.2634 0.5059
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0182 0.0599 0.115
Leishmania major beta tubulin 0.1329 0.5207 1
Loa Loa (eye worm) beta-tubulin 0.1329 0.5207 1
Loa Loa (eye worm) G-protein coupled receptor 0.0688 0.2634 0.5059
Echinococcus multilocularis fmrfamide receptor 0.0688 0.2634 0.5059
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0043 0.0043 0.0083
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0053 0.0083 0.0081
Trypanosoma brucei beta tubulin 0.1329 0.5207 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0688 0.2634 0.5059
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0045 0.0082
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0223 0.0766 0.1471
Schistosoma mansoni biogenic amine receptor 0.0688 0.2634 0.4979
Brugia malayi Tachykinin-like peptides receptor 99D 0.1132 0.4418 0.4417
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0688 0.2634 0.5059
Echinococcus granulosus serotonin receptor 0.0688 0.2634 0.5059
Echinococcus granulosus Tubulin beta 2C chain 0.1329 0.5207 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0688 0.2634 0.5059
Echinococcus multilocularis serotonin receptor 0.0688 0.2634 0.5059
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0668 0.2553 0.4903
Schistosoma mansoni tyrosine kinase 0.0054 0.0085 0.0004
Toxoplasma gondii beta-tubulin, putative 0.1329 0.5207 0.5
Schistosoma mansoni tubulin subunit beta 0.1329 0.5207 1
Leishmania major beta tubulin 0.1329 0.5207 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0688 0.2634 0.4979
Echinococcus granulosus dna polymerase kappa 0.0044 0.0045 0.0087
Echinococcus granulosus neuropeptide Y receptor 0.0688 0.2634 0.5059
Schistosoma mansoni amine GPCR 0.0688 0.2634 0.4979
Loa Loa (eye worm) apoptosis regulator protein 0.0053 0.0083 0.016
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0688 0.2634 0.5059
Echinococcus multilocularis rhodopsin orphan GPCR 0.0688 0.2634 0.5059
Onchocerca volvulus 0.0688 0.2634 0.7032
Brugia malayi Tubulin beta-1 chain 0.1329 0.5207 0.5206
Echinococcus granulosus rhodopsin orphan GPCR 0.0688 0.2634 0.5059
Onchocerca volvulus 0.0688 0.2634 0.7032
Echinococcus granulosus tyrosine protein kinase Src42A 0.0054 0.0085 0.0163
Schistosoma mansoni amine GPCR 0.0688 0.2634 0.4979
Echinococcus multilocularis orexin receptor type 2 0.0688 0.2634 0.5059
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0054 0.0085 0.0163
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0688 0.2634 0.5059
Echinococcus granulosus rhodopsin orphan GPCR 0.0688 0.2634 0.5059
Leishmania major beta tubulin 0.1329 0.5207 1
Brugia malayi Melatonin receptor type 1A 0.0688 0.2634 0.2633
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0054 0.0085 0.0163
Schistosoma mansoni hypothetical protein 0.0688 0.2634 0.4979
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0688 0.2634 0.5059
Echinococcus granulosus dnaJ subfamily B 0.1237 0.484 0.9295
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0054 0.0085 0.0163
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Echinococcus multilocularis g protein coupled receptor 0.0688 0.2634 0.5059
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Echinococcus granulosus tyrosine protein kinase csk 0.0035 0.001 0.002
Brugia malayi hypothetical protein 0.0688 0.2634 0.2633
Brugia malayi hypothetical protein 0.0688 0.2634 0.2633
Echinococcus granulosus allatostatin A receptor 0.0959 0.3724 0.7152
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Brugia malayi protein-tyrosine kinase 0.0043 0.0043 0.0041
Echinococcus multilocularis neuropeptide receptor A26 0.0688 0.2634 0.5059
Entamoeba histolytica tubulin family protein 0.1329 0.5207 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0688 0.2634 0.4979
Loa Loa (eye worm) TK protein kinase 0.0043 0.0043 0.0083
Echinococcus granulosus alpha 1A adrenergic receptor 0.0688 0.2634 0.5059
Echinococcus granulosus peptide allatostatin:somatostatin 0.0688 0.2634 0.5059
Echinococcus granulosus tyrosine protein kinase Fyn 0.0054 0.0085 0.0163
Onchocerca volvulus 0.0688 0.2634 0.7032
Schistosoma mansoni neuropeptide F-like receptor 0.0688 0.2634 0.4979
Loa Loa (eye worm) tubulin beta-2A chain 0.1329 0.5207 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0688 0.2634 0.4979
Echinococcus granulosus tyrosine protein kinase Src64B 0.0054 0.0085 0.0163
Echinococcus granulosus orexin receptor type 2 0.0688 0.2634 0.5059
Echinococcus granulosus neuropeptides capa receptor 0.0888 0.3437 0.66
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Loa Loa (eye worm) BEN-1 protein 0.1329 0.5207 1
Echinococcus granulosus tyrosine kinase 0.0043 0.0043 0.0083
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.0031 0.0059
Echinococcus granulosus tubulin subunit beta 0.1329 0.5207 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0054 0.0087 0.0167
Leishmania major beta tubulin 0.1329 0.5207 1
Loa Loa (eye worm) hypothetical protein 0.0688 0.2634 0.5059
Brugia malayi Dopamine receptor protein 1 0.0688 0.2634 0.2633
Brugia malayi putative neuropeptide receptor NPR1 0.0688 0.2634 0.2633
Echinococcus multilocularis allatostatin A receptor 0.0959 0.3724 0.7152
Schistosoma mansoni opsin-like receptor 0.0688 0.2634 0.4979
Brugia malayi hypothetical protein 0.0688 0.2634 0.2633
Trypanosoma brucei beta tubulin 0.1329 0.5207 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0045 0.0082
Schistosoma mansoni myosin xvIII 0.0688 0.2634 0.4979
Onchocerca volvulus 0.0688 0.2634 0.7032
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0053 0.0083 0.016
Giardia lamblia Beta tubulin 0.1329 0.5207 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0688 0.2634 0.4979
Loa Loa (eye worm) hypothetical protein 0.0083 0.0203 0.039

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.049 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) -4.938 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) -4.895 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.89 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) -4.879 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) -4.874 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
GI50 (functional) -4.86 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) -4.832 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

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.

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