Detailed information for compound 448268

Basic information

Technical information
  • TDR Targets ID: 448268
  • Name: 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyraz ol-3-yl]-3,5-dimethylpiperazine
  • MW: 367.875 | Formula: C20H22ClN5
  • H donors: 2 H acceptors: 2 LogP: 3.73 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1NC(C)CN(C1)c1[nH]nc(c1c1ccncc1)c1ccc(cc1)Cl
  • InChi: 1S/C20H22ClN5/c1-13-11-26(12-14(2)23-13)20-18(15-7-9-22-10-8-15)19(24-25-20)16-3-5-17(21)6-4-16/h3-10,13-14,23H,11-12H2,1-2H3,(H,24,25)
  • InChiKey: UURQEFJLVUODIL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]-3,5-dimethyl-piperazine
  • 1-[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]-3,5-dimethylpiperazine
  • 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,5-dimethyl-piperazine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 11 References
Homo sapiens mitogen-activated protein kinase 14 References
Homo sapiens mitogen-activated protein kinase 12 References
Homo sapiens mitogen-activated protein kinase 13 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania braziliensis mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Schistosoma japonicum ko:K04441 p38 MAP kinase, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma brucei gambiense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Brugia malayi P38 map kinase family protein 2 Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania infantum mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma brucei mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma congolense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania mexicana mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania donovani mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 11 364 aa 361 aa 33.0 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 12 357 aa 362 aa 30.1 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 13 365 aa 366 aa 30.1 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 14 360 aa 336 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Cation transporter family protein 0.0104 0.2118 0.2118
Echinococcus multilocularis nAChR subunit 0.0056 0.1044 0.1044
Brugia malayi hypothetical protein 0.027 0.5828 0.5828
Loa Loa (eye worm) hypothetical protein 0.0048 0.0864 0.0864
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0267 0.1664
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.002 0.002
Schistosoma mansoni nAChR subunit 0.0104 0.2118 0.3155
Echinococcus multilocularis glycine receptor subunit beta 0.0104 0.2118 0.2118
Trichomonas vaginalis taga, putative 0.001 0.002 0.0215
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0438 0.0438
Loa Loa (eye worm) hypothetical protein 0.0056 0.1044 0.1044
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.002 0.0215
Loa Loa (eye worm) ACC-1 protein 0.0104 0.2118 0.2118
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0104 0.2118 0.3155
Loa Loa (eye worm) hypothetical protein 0.0048 0.0864 0.0864
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0104 0.2118 0.2118
Loa Loa (eye worm) hypothetical protein 0.0029 0.0433 0.0433
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0104 0.2118 0.2118
Schistosoma mansoni DNA ligase IV 0.001 0.0011 0.0016
Echinococcus multilocularis transfer RNA-Lys 0.0082 0.1623 0.1623
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0138 0.0138
Loa Loa (eye worm) GABA receptor subunit 0.0056 0.1044 0.1044
Mycobacterium leprae Possible regulatory protein 0.0029 0.0433 0.2746
Loa Loa (eye worm) hypothetical protein 0.0056 0.1044 0.1044
Schistosoma mansoni hypothetical protein 0.0016 0.0138 0.0205
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.002 0.0215
Entamoeba histolytica hypothetical protein 0.0056 0.1044 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.1548 1
Plasmodium vivax multidrug resistance protein 1, putative 0.001 0.002 0.0059
Entamoeba histolytica P-glyco protein 6, putative 0.001 0.002 0.0088
Loa Loa (eye worm) hypothetical protein 0.0048 0.0864 0.0864
Trichomonas vaginalis ABC transporter, half transporter, putative 0.001 0.002 0.0215
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0104 0.2118 0.2118
Schistosoma mansoni nAChR subunit 0.0104 0.2118 0.3155
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0048 0.0864 0.0864
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0048 0.0864 0.0864
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0048 0.0864 0.0864
Loa Loa (eye worm) hypothetical protein 0.0048 0.0864 0.0864
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.1548 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.1548 0.2306
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0138 0.0138
Loa Loa (eye worm) LGC-31 protein 0.0104 0.2118 0.2118
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0818 0.0818
Schistosoma mansoni importin beta-1 0.0029 0.0438 0.0652
Brugia malayi ABC transporter family protein 0.001 0.002 0.002
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0104 0.2118 0.2118
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0056 0.1044 0.1555
Echinococcus granulosus multidrug resistance protein 1 0.001 0.002 0.002
Schistosoma mansoni nAChR subunit 0.0104 0.2118 0.3155
Loa Loa (eye worm) hypothetical protein 0.0048 0.0864 0.0864
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0942 0.0942
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0315 0.721
Onchocerca volvulus 0.0104 0.2118 0.3635
Loa Loa (eye worm) hypothetical protein 0.0372 0.81 0.81
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.002 0.0215
Brugia malayi Cation transporter family protein 0.0104 0.2118 0.2118
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0029 0.0433 0.2746
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0138 0.0138
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.002 0.0215
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0375 0.0356
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.1548 1
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0056 0.1044 0.1044
Onchocerca volvulus 0.0104 0.2118 0.3635
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0104 0.2118 0.2118
Onchocerca volvulus 0.0104 0.2118 0.3635
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0029 0.0433 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.002 0.002
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0104 0.2118 0.2118
Echinococcus multilocularis mitogen activated protein kinase 11 0.0457 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.1548 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0031 0.0483 0.0473
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.002 0.002
Brugia malayi excitatory GABA receptor EXP-1A 0.0104 0.2118 0.2118
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.089 0.089
Schistosoma mansoni acetylcholine receptor subunit beta 0.0048 0.0864 0.1286
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0942 0.0942
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.089 0.089
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0104 0.2118 0.3155
Leishmania major importin beta-1 subunit, putative 0.0024 0.0315 0.0296
Loa Loa (eye worm) hypothetical protein 0.001 0.002 0.002
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0375 0.2369
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0433 1
Echinococcus granulosus nibrin 0.001 0.0011 0.0011
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.001 0.002 0.0059
Brugia malayi Flap endonuclease-1 0.0026 0.0375 0.0375
Trichomonas vaginalis ABC transporter, putative 0.001 0.002 0.0215
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0104 0.2118 0.2118
Brugia malayi hypothetical protein 0.0048 0.0864 0.0864
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0104 0.2118 0.2118
Echinococcus multilocularis GPCR, family 2 0.0016 0.0138 0.0138
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0029 0.0433 0.0423
Schistosoma mansoni hypothetical protein 0.0016 0.0138 0.0205
Loa Loa (eye worm) hypothetical protein 0.0048 0.0864 0.0864
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0056 0.1044 0.1044
Brugia malayi Serotonin receptor 0.0447 0.9776 0.9776
Echinococcus granulosus replication factor c subunit 1 0.001 0.0011 0.0011
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.031 0.6714 0.6714
Echinococcus granulosus glycine receptor subunit alpha 1 0.0104 0.2118 0.2118
Brugia malayi hypothetical protein 0.0372 0.81 0.81
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0375 0.0375
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0267 0.0256
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Onchocerca volvulus 0.0104 0.2118 0.3635
Echinococcus multilocularis geminin 0.0171 0.3601 0.3601
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.002 0.002
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0011 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0433 1
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0029 0.0433 0.0414
Schistosoma mansoni nAChR subunit 0.0048 0.0864 0.1286
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0375 0.0375
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0104 0.2118 0.2118
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.002 0.0215
Onchocerca volvulus 0.0104 0.2118 0.3635
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.1548 1
Brugia malayi hypothetical protein 0.001 0.0011 0.0011
Entamoeba histolytica Ran family GTPase 0.0021 0.0267 0.2477
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0056 0.1044 0.1555
Brugia malayi hypothetical protein 0.0048 0.0864 0.0864
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0375 0.3526
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0104 0.2118 0.2118
Schistosoma mansoni topbp1 0.001 0.0011 0.0016
Echinococcus multilocularis aryl hydrocarbon receptor 0.0029 0.0433 0.0433
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.002 0.0215
Echinococcus multilocularis nibrin 0.001 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Echinococcus granulosus glycine receptor subunit beta 0.0104 0.2118 0.2118
Onchocerca volvulus 0.001 0.0011 0.0018
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0056 0.1044 0.1044
Brugia malayi hypothetical protein 0.0048 0.0864 0.0864
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Onchocerca volvulus 0.0104 0.2118 0.3635
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.002 0.0215
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0017
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.002 0.0215
Plasmodium falciparum multidrug resistance protein 1 0.001 0.002 0.0059
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0011 0.0011
Echinococcus multilocularis jun protein 0.0344 0.7479 0.7479
Loa Loa (eye worm) hypothetical protein 0.0048 0.0864 0.0864
Echinococcus granulosus single minded 2 0.0082 0.1623 0.1623
Echinococcus multilocularis mitogen activated protein kinase 14 0.0457 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0818 0.0818
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0104 0.2118 0.2118
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0267 0.1664
Loa Loa (eye worm) hypothetical protein 0.001 0.002 0.002
Schistosoma mansoni nAChR subunit 0.0104 0.2118 0.3155
Loa Loa (eye worm) hypoxia-induced factor 1 0.0343 0.7456 0.7456
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0029 0.0433 0.0433
Echinococcus granulosus GPCR family 2 0.0016 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0049 0.089 0.089
Brugia malayi hypothetical protein 0.0048 0.0864 0.0864
Loa Loa (eye worm) acetylcholine receptor protein 0.0048 0.0864 0.0864
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0029 0.0433 0.0423
Brugia malayi DKFZp564C0469 protein 0.001 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0056 0.1044 0.1044
Onchocerca volvulus 0.0056 0.1044 0.1791
Schistosoma mansoni acetylcholine receptor-related 0.0048 0.0864 0.1286
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0104 0.2118 0.2118
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.002 0.002
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0138 0.0138
Schistosoma mansoni nAChR subunit 0.0048 0.0864 0.1286
Schistosoma mansoni hypothetical protein 0.031 0.6714 1
Onchocerca volvulus 0.0048 0.0864 0.1482
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.002 0.0215
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0056 0.1044 0.1044
Entamoeba histolytica P-glycoprotein-5 0.001 0.002 0.0088
Toxoplasma gondii hypothetical protein 0.0027 0.0395 0.2501
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0395 0.2501
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0942 1
Brugia malayi Cation transporter family protein 0.0104 0.2118 0.2118
Brugia malayi bHLH-PAS transcription factor 0.0082 0.1623 0.1623
Schistosoma mansoni multidrug resistance protein 0.001 0.002 0.0029
Plasmodium vivax importin-beta 2, putative 0.0029 0.0438 0.2778
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0048 0.0864 0.0864
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0267 0.0256
Loa Loa (eye worm) hypothetical protein 0.0335 0.7269 0.7269
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0029 0.0433 0.0433
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0457 1 1
Onchocerca volvulus 0.0056 0.1044 0.1791
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0104 0.2118 0.2118
Echinococcus multilocularis snurportin 1 0.031 0.6714 0.6714
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.002 0.0215
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0104 0.2118 0.3155
Schistosoma mansoni multidrug resistance protein 0.001 0.002 0.0029
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0818 0.0818
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0438 0.0428
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0048 0.0864 0.0864
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0375 0.0365
Schistosoma mansoni ran 0.0021 0.0267 0.0397
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0104 0.2118 0.2118
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0375 0.8627
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0104 0.2118 0.2118
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.002 0.0215
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0048 0.0864 0.0864
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0027 0.0395 0.2501
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0104 0.2118 0.2118
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0104 0.2118 0.2118
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.001 0.0017 0.0017
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.002 0.0215
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0048 0.0864 0.0864
Onchocerca volvulus 0.0048 0.0864 0.1482
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0818 0.1219
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0818 0.0818
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0104 0.2118 0.2118
Loa Loa (eye worm) hypothetical protein 0.0056 0.1044 0.1044
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0104 0.2118 0.2118
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0011
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0048 0.0864 0.0864
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0395 0.2501
Echinococcus granulosus jun protein 0.0344 0.7479 0.7479
Mycobacterium ulcerans putative regulatory protein 0.0082 0.1623 1
Onchocerca volvulus 0.001 0.002 0.0034
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0267 0.1664
Loa Loa (eye worm) hypothetical protein 0.0079 0.1548 0.1548
Entamoeba histolytica P-glycoprotein-2, putative 0.001 0.002 0.0088
Onchocerca volvulus 0.0029 0.0433 0.0743
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.002 0.0215
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.1548 0.954
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.089 0.089
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.002 0.0215
Loa Loa (eye worm) ACC-1 protein 0.0104 0.2118 0.2118
Echinococcus multilocularis nAChR subunit 0.0104 0.2118 0.2118
Schistosoma mansoni hypothetical protein 0.0016 0.0138 0.0205
Schistosoma mansoni aryl hydrocarbon receptor 0.0111 0.2266 0.3376
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0011
Echinococcus granulosus glycine receptor subunit beta 0.0104 0.2118 0.2118
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0104 0.2118 0.2118
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0104 0.2118 0.2118
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0267 0.0267
Brugia malayi topoisomerase 0.001 0.0011 0.0011
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.1548 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0104 0.2118 0.2118
Trichomonas vaginalis ABC transporter, half transporter, putative 0.001 0.002 0.0215
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0375 0.2369
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0029 0.0433 1
Echinococcus granulosus multidrug resistance protein 1 0.001 0.002 0.002
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0104 0.2118 0.3155
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0104 0.2118 0.2118
Schistosoma mansoni hypothetical protein 0.0034 0.0542 0.0807
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0267 0.0267
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0031 0.0483 0.0473
Echinococcus granulosus geminin 0.0171 0.3601 0.3601
Onchocerca volvulus Putative nachr subunit 0.0104 0.2118 0.3635
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0433 1
Onchocerca volvulus 0.0082 0.1623 0.2784
Loa Loa (eye worm) hypothetical protein 0.0048 0.0864 0.0864
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.001 0.002 0.002
Trichomonas vaginalis abcb9, putative 0.001 0.002 0.0215
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0048 0.0864 0.0864
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0942 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0104 0.2118 0.2118
Onchocerca volvulus 0.0048 0.0864 0.1482
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0344 0.7479 0.7479
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0457 1 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.001 0.002 0.0059
Schistosoma mansoni neurotransmitter gated ion channel 0.0048 0.0864 0.1286
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0818 0.0818
Loa Loa (eye worm) multidrug resistance protein 3 0.001 0.002 0.002
Schistosoma mansoni smdr2 0.001 0.002 0.0029
Echinococcus granulosus glycine receptor subunit alpha 1 0.0104 0.2118 0.2118
Loa Loa (eye worm) hypothetical protein 0.0048 0.0864 0.0864
Schistosoma mansoni nAChR subunit 0.0104 0.2118 0.3155
Echinococcus granulosus glycine receptor subunit alpha 1 0.0104 0.2118 0.2118
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.001 0.002 0.0059
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0104 0.2118 0.2118
Schistosoma mansoni hypothetical protein 0.028 0.6039 0.8995
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.1548 1
Brugia malayi Probable ClpP-like protease 0.0079 0.1548 0.1548
Brugia malayi hypothetical protein 0.001 0.0011 0.0011
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0104 0.2118 0.2118
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0011
Schistosoma mansoni flap endonuclease-1 0.0024 0.0319 0.0475
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0104 0.2118 0.2118
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.002 0.0215
Echinococcus multilocularis multidrug resistance protein 1 0.001 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0048 0.0864 0.0864
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.1548 1
Trichomonas vaginalis abcb9, putative 0.001 0.002 0.0215
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0315 0.721
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0942 0.6059
Brugia malayi Importin beta-1 subunit 0.0029 0.0438 0.0438
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0542 0.0542
Schistosoma mansoni ran 0.0021 0.0267 0.0397
Echinococcus multilocularis multidrug resistance protein 1 0.001 0.002 0.002
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.1548 0.1548
Loa Loa (eye worm) hypothetical protein 0.0048 0.0864 0.0864
Trichomonas vaginalis ABC transporter, putative 0.001 0.002 0.0215
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0138 0.0138
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0267 0.0267
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0104 0.2118 0.2118
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0104 0.2118 0.2118
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Leishmania major protein kinase, putative 0.0031 0.0483 0.0464
Echinococcus multilocularis glycine receptor subunit beta 0.0104 0.2118 0.2118
Brugia malayi multidrug resistance protein 3 0.001 0.002 0.002
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0048 0.0864 0.0864
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0011
Brugia malayi bZIP transcription factor family protein 0.0344 0.7479 0.7479
Echinococcus granulosus nAChR subunit 0.0056 0.1044 0.1044
Brugia malayi RNA, U transporter 1 0.0083 0.1634 0.1634
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0375 0.0365
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0315 0.721
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.002 0.0215
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0438 0.0428
Echinococcus granulosus mitogen activated protein kinase 14 0.0457 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0104 0.2118 0.2118
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0031 0.0483 0.0473
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.002 0.0215
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0048 0.0864 0.0864
Leishmania major GTP-binding protein, putative 0.0021 0.0267 0.0247
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0029 0.0433 1
Entamoeba histolytica P-glycoprotein-1 0.001 0.002 0.0088
Echinococcus granulosus mitogen activated protein kinase 11 0.0457 1 1
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0457 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0438 0.0438
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0438 0.2778
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0457 1 1
Echinococcus granulosus snurportin 1 0.031 0.6714 0.6714
Brugia malayi PAS domain containing protein 0.0111 0.2266 0.2266
Trichomonas vaginalis abcb9, putative 0.001 0.002 0.0215
Echinococcus multilocularis mitogen activated protein kinase 14 0.0457 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0138 0.0138
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0104 0.2118 0.2118
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.002 0.0215
Loa Loa (eye worm) hypothetical protein 0.0056 0.1044 0.1044
Schistosoma mansoni topbp1 0.001 0.0011 0.0016
Schistosoma mansoni hypothetical protein 0.0171 0.3601 0.5364
Trichomonas vaginalis ABC transporter, putative 0.001 0.002 0.0215
Entamoeba histolytica P-glycoprotein 5, putative 0.001 0.002 0.0088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0818 0.1219
Echinococcus multilocularis mitogen activated protein kinase 11 0.0457 1 1
Schistosoma mansoni single-minded 0.0111 0.2266 0.3376
Schistosoma mansoni nAChR subunit 0.0104 0.2118 0.3155
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0104 0.2118 0.2118
Loa Loa (eye worm) hypothetical protein 0.0034 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.0056 0.1044 0.1044
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0267 0.0256
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.002 0.0215
Trichomonas vaginalis guanylate cyclase, putative 0.0029 0.0433 1
Schistosoma mansoni jun-related protein 0.028 0.6039 0.8995
Echinococcus granulosus aryl hydrocarbon receptor 0.0029 0.0433 0.0433
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0104 0.2118 0.2118
Echinococcus granulosus nAChR subunit 0.0104 0.2118 0.2118
Loa Loa (eye worm) hypothetical protein 0.0056 0.1044 0.1044
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0104 0.2118 0.2118
Schistosoma mansoni neurotransmitter gated ion channel 0.0056 0.1044 0.1555
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0104 0.2118 0.2118
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0267 0.7024
Loa Loa (eye worm) hypothetical protein 0.0048 0.0864 0.0864
Entamoeba histolytica hypothetical protein 0.0024 0.0315 0.2947
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0375 1
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0029 0.0433 1
Echinococcus granulosus flap endonuclease 1 0.0026 0.0375 0.0375
Echinococcus granulosus importin subunit beta 1 0.0029 0.0438 0.0438
Leishmania major protein kinase, putative 0.0031 0.0483 0.0464
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0818 0.0818
Trichomonas vaginalis ABC transporter, putative 0.001 0.002 0.0215
Loa Loa (eye worm) hypothetical protein 0.0048 0.0864 0.0864
Schistosoma mansoni neurotransmitter gated ion channel 0.0048 0.0864 0.1286
Trichomonas vaginalis guanylate cyclase, putative 0.0029 0.0433 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0104 0.2118 0.3155
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0104 0.2118 0.2118
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0031 0.0483 0.0473
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.1548 0.1548
Plasmodium falciparum flap endonuclease 1 0.0026 0.0375 0.2369
Schistosoma mansoni hypothetical protein 0.0016 0.0138 0.0205
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0457 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0818 0.1219
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0315 0.0305
Schistosoma mansoni nAChR subunit 0.0104 0.2118 0.3155
Brugia malayi hypothetical protein 0.0048 0.0864 0.0864
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.1548 1
Brugia malayi hypoxia-induced factor 1 0.0343 0.7456 0.7456
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0104 0.2118 0.2118
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0029 0.0433 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0104 0.2118 0.3155
Entamoeba histolytica P-glycoprotein-2 0.001 0.002 0.0088
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.1548 0.954
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0344 0.7479 0.7479
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0048 0.0864 0.0864
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0104 0.2118 0.2118
Loa Loa (eye worm) hypothetical protein 0.0056 0.1044 0.1044
Plasmodium falciparum importin beta, putative 0.0029 0.0438 0.2778
Loa Loa (eye worm) hypothetical protein 0.0104 0.2118 0.2118
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0104 0.2118 0.2118
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0048 0.0864 0.0864
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0138 0.0138
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.002 0.002
Echinococcus multilocularis ATP binding cassette sub family B 0.001 0.0017 0.0017
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0056 0.1044 0.1044
Onchocerca volvulus 0.027 0.5828 1
Trichomonas vaginalis ran, putative 0.0021 0.0267 0.606
Loa Loa (eye worm) hypothetical protein 0.0048 0.0864 0.0864
Entamoeba histolytica P-glycoprotein-2 0.001 0.002 0.0088
Schistosoma mansoni multidrug resistance protein 0.001 0.002 0.0029
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.002 0.002
Schistosoma mansoni hypothetical protein 0.0171 0.3601 0.5364
Echinococcus granulosus multidrug resistance protein 1 0.001 0.002 0.002
Trichomonas vaginalis adenylate cyclase, putative 0.0029 0.0433 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.002 0.0215
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0011 0.0016
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0104 0.2118 0.2118
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0395 0.2501
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.002 0.002
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0029 0.0433 0.0433
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0048 0.0864 0.0864

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 12 nM Inhibition of p38 MAPK activity assessed as EGFR phosphorylation ChEMBL. 17948975
IC50 (binding) = 12 nM Inhibition of p38 MAPK activity assessed as EGFR phosphorylation ChEMBL. 17948975
Inhibition (functional) = 93 % Inhibition of LPS-induced TNF production in rat pretreated at 5 mg/kg, po after 1.5 hrs by ELISA ChEMBL. 17948975
Inhibition (functional) = 96 % Inhibition of LPS-induced TNF production in rat pretreated at 20 mg/kg, po after 1.5 hrs by ELISA ChEMBL. 17948975

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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