Detailed information for compound 147944

Basic information

Technical information
  • TDR Targets ID: 147944
  • Name: N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phen yl]piperazin-1-yl]propylamino]pyridine-3-carb oxamide
  • MW: 435.486 | Formula: C22H28F3N5O
  • H donors: 1 H acceptors: 2 LogP: 4.05 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccnc1NCCCN1CCN(CC1)c1ccccc1C(F)(F)F)N(C)C
  • InChi: 1S/C22H28F3N5O/c1-28(2)21(31)17-7-5-10-26-20(17)27-11-6-12-29-13-15-30(16-14-29)19-9-4-3-8-18(19)22(23,24)25/h3-5,7-10H,6,11-16H2,1-2H3,(H,26,27)
  • InChiKey: FAEPBXVYMFXGCS-UHFFFAOYSA-N  

Network

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Synonyms

  • N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]-1-piperazinyl]propylamino]-3-pyridinecarboxamide
  • N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperazino]propylamino]nicotinamide
  • N,N-dimethyl-2-[3-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]nicotinamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Alpha-1d adrenergic receptor Starlite/ChEMBL References
Oryctolagus cuniculus Alpha-1a adrenergic receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Get druggable targets OG5_128924 All targets in OG5_128924
Schistosoma japonicum Alpha-1D adrenergic receptor, putative Get druggable targets OG5_128924 All targets in OG5_128924
Schistosoma mansoni amine GPCR Get druggable targets OG5_128924 All targets in OG5_128924

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Alpha-1a adrenergic receptor   466 aa 395 aa 31.1 %
Echinococcus multilocularis g protein coupled receptor Alpha-1a adrenergic receptor   466 aa 396 aa 21.7 %
Echinococcus granulosus g protein coupled receptor Alpha-1a adrenergic receptor   466 aa 397 aa 20.9 %
Echinococcus granulosus biogenic amine 5HT receptor Alpha-1a adrenergic receptor   466 aa 416 aa 32.0 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Alpha-1a adrenergic receptor   466 aa 446 aa 30.7 %
Echinococcus granulosus g protein coupled receptor Alpha-1a adrenergic receptor   466 aa 415 aa 21.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0032 0.0484 0.1218
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0484 0.2156
Leishmania major pentamidine resistance protein 1 0.0023 0.027 0.1503
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0105 0.216 1
Plasmodium falciparum calcium-dependent protein kinase 1 0.0032 0.0484 0.0461
Plasmodium falciparum mitogen-activated protein kinase 2 0.0169 0.3649 0.3633
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0105 0.216 1
Giardia lamblia Lysyl-tRNA synthetase 0.0023 0.0283 0.5182
Loa Loa (eye worm) hypothetical protein 0.0176 0.38 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0073 0.1425 0.6561
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0073 0.1425 0.6461
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0032 0.0484 0.0703
Plasmodium falciparum multidrug resistance protein 2 0.0023 0.027 0.0247
Echinococcus granulosus hyperpolarization activated cyclic 0.002 0.0211 0.0878
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0493 0.1973
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.002 0.0211 0.0878
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.002 0.0211 0.0418
Echinococcus granulosus calcium dependent protein kinase 0.003 0.0438 0.1942
Schistosoma mansoni glucose transport protein 0.0105 0.216 0.4776
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0023 0.027 0.2549
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.002 0.0211 0.0418
Schistosoma mansoni multidrug resistance protein 0.0023 0.027 0.055
Brugia malayi Sugar transporter family protein 0.0015 0.0084 0.028
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0589 1
Entamoeba histolytica protein kinase, putative 0.0032 0.0484 0.1978
Entamoeba histolytica hypothetical protein 0.0023 0.0283 0.0269
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0589 1
Echinococcus granulosus voltage gated potassium channel 0.0027 0.0373 0.1639
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0084 0.0158
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0158
Schistosoma mansoni voltage-gated potassium channel 0.0017 0.014 0.0259
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0023 0.027 0.3687
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0493 0.8107
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0073 0.1425 0.6561
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0023 0.027 0.0376
Brugia malayi hypothetical protein 0.0023 0.027 0.1152
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0022 0.0252 0.0509
Brugia malayi ABC transporter transmembrane region family protein 0.0022 0.0252 0.1066
Plasmodium falciparum protein kinase 7 0.0296 0.6571 0.6563
Loa Loa (eye worm) multidrug resistance protein 3 0.0073 0.1425 0.3711
Plasmodium vivax multidrug resistance-associated protein 2, putative 0.0023 0.027 0.0188
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0158
Echinococcus granulosus cGMP dependent protein kinase 1 0.0012 0.0024 0.0004
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0082 0.1631 0.7524
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0493 0.1973
Schistosoma mansoni sugar transporter 0.0015 0.0084 0.0134
Trypanosoma cruzi ABC transporter, mitochondrial, putative 0.0023 0.027 0.3687
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0493 0.8107
Loa Loa (eye worm) ABC transporter 0.0023 0.027 0.0652
Plasmodium vivax ABC transporter B family member 7, putative 0.0023 0.027 0.0188
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0158
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0023 0.0283 0.395
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0023 0.027 0.1503
Echinococcus granulosus multidrug resistance protein 1 0.0073 0.1425 0.6561
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.002 0.0211 0.0418
Loa Loa (eye worm) hypothetical protein 0.0023 0.027 0.0652
Schistosoma mansoni hypothetical protein 0.0105 0.216 0.4776
Echinococcus granulosus ATP binding cassette sub family B 0.0022 0.0252 0.1069
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0032 0.0484 0.2156
Plasmodium vivax ABC transporter B family member 6, putative 0.0023 0.027 0.0188
Schistosoma mansoni amine GPCR 0.0206 0.4497 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0073 0.1425 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0082 0.1631 0.4256
Trichomonas vaginalis taga, putative 0.0073 0.1425 0.6461
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0027 0.0373 0.1639
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0484 0.2156
Plasmodium falciparum ABC transporter B family member 7, putative 0.0023 0.027 0.0247
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0073 0.1425 0.6561
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.002 0.0211 0.0878
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0493 0.8107
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.002 0.0211 0.0878
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0073 0.1425 0.6461
Schistosoma mansoni sugar transporter 0.0015 0.0084 0.0134
Echinococcus multilocularis ATP binding cassette sub family B 0.0023 0.027 0.1155
Schistosoma mansoni voltage-gated potassium channel 0.0089 0.1794 0.3957
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0283 1
Schistosoma mansoni voltage-gated potassium channel 0.0027 0.0373 0.0781
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0493 0.8107
Echinococcus multilocularis hyperpolarization activated cyclic 0.002 0.0211 0.0878
Toxoplasma gondii sugar transporter ST3 0.0015 0.0084 0.0091
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.8107
Echinococcus granulosus sodium channel protein 0.0083 0.1661 0.7665
Trichomonas vaginalis abcb9, putative 0.0073 0.1425 0.6461
Plasmodium falciparum ABC transporter B family member 3, putative 0.0023 0.027 0.0247
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0484 0.2156
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0083 0.1661 0.7665
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0202 0.0882
Mycobacterium ulcerans sugar transporter 0.0015 0.0084 0.2954
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0037 0.0589 0.0863
Echinococcus granulosus multidrug resistance protein 1 0.0051 0.0918 0.4186
Toxoplasma gondii ATP-binding cassette sub-family B member 5 0.0023 0.027 0.0376
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0589 0.3451
Trichomonas vaginalis abcb9, putative 0.0073 0.1425 0.6461
Echinococcus multilocularis synaptic vesicle 2 protein 0.0015 0.0084 0.0283
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0023 0.027 0.3687
Giardia lamblia Multidrug resistance-associated protein 1 0.0022 0.0252 0.4361
Plasmodium falciparum multidrug resistance-associated protein 1 0.0023 0.027 0.0247
Plasmodium falciparum ABC transporter B family member 5, putative 0.0023 0.027 0.0247
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0283 0.058
Echinococcus multilocularis voltage gated potassium channel 0.0027 0.0373 0.1639
Loa Loa (eye worm) hypothetical protein 0.0022 0.0252 0.0603
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.002 0.0217 0.0641
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0169 0.3649 0.5536
Leishmania major hypothetical protein, conserved 0.0015 0.0084 0.0365
Loa Loa (eye worm) hypothetical protein 0.0031 0.0469 0.1178
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0105 0.216 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0073 0.1425 0.6461
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0105 0.216 1
Echinococcus multilocularis solute carrier family 22 0.0015 0.0084 0.0283
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0027 0.0373 0.1639
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0023 0.027 0.1503
Trypanosoma cruzi hexose transporter 0.0032 0.0493 0.8107
Plasmodium vivax CDK-related protein kinase 6, putative 0.0444 1 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0023 0.027 0.9531
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0158
Brugia malayi ABC transporter family protein 0.0023 0.027 0.1152
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0023 0.027 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0169 0.3649 0.3595
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0023 0.027 0.1152
Leishmania major glucose transporter/membrane transporter D2, putative 0.0032 0.0493 0.2867
Giardia lamblia Multidrug resistance-associated protein 1 0.0023 0.027 0.4837
Trichomonas vaginalis conserved hypothetical protein 0.0105 0.216 1
Toxoplasma gondii lysine-tRNA ligase 0.0023 0.0283 0.0396
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0023 0.027 0.0652
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0073 0.1425 0.6461
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0252 0.0809
Echinococcus granulosus multidrug resistance protein 1 0.0073 0.1425 0.6561
Brugia malayi hypothetical protein 0.0015 0.0084 0.028
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0073 0.1425 0.6461
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.002 0.0211 0.0418
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0023 0.027 0.3687
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0032 0.0484 0.7919
Echinococcus granulosus multidrug resistance associated protein 7 0.0023 0.027 0.1155
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0023 0.027 0.2549
Echinococcus granulosus multidrug resistance protein 1 0.0073 0.1425 0.6561
Schistosoma mansoni protein kinase 0.0032 0.0484 0.1028
Echinococcus granulosus cGMP dependent protein kinase 0.0012 0.0024 0.0004
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.002 0.0211 0.0495
Loa Loa (eye worm) hypothetical protein 0.0176 0.38 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0283 0.0687
Entamoeba histolytica P-glycoprotein 6, putative 0.0023 0.027 0.0156
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.8107
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.8107
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0469 0.0995
Leishmania major myo-inositol/proton symporter (MIT) 0.0015 0.0084 0.0365
Loa Loa (eye worm) ABC transporter 0.0023 0.027 0.0652
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0084 0.028
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0023 0.027 0.1503
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.002 0.0211 0.0418
Brugia malayi Cyclic-nucleotide gated cation channel 0.002 0.0211 0.0874
Echinococcus granulosus ATP binding cassette sub family B 0.0023 0.027 0.1155
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0015 0.0084 0.2954
Schistosoma mansoni glucose transport protein 0.0105 0.216 0.4776
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0493 0.1973
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0158
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0158
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0023 0.027 0.1503
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0105 0.216 1
Trypanosoma brucei multidrug resistance protein E 0.0023 0.027 0.3687
Loa Loa (eye worm) hypothetical protein 0.002 0.0211 0.0495
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0031 0.0469 0.185
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0073 0.1425 0.6461
Leishmania major glucose transporter, lmgt3 0.0032 0.0493 0.2867
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0073 0.1425 0.6461
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0032 0.0484 0.0703
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0012 0.0024 0.0004
Trypanosoma cruzi multidrug resistance protein E, putative 0.0023 0.027 0.3687
Echinococcus multilocularis ATP binding cassette sub family B 0.0023 0.027 0.1155
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0032 0.0484 0.0404
Entamoeba histolytica ATP-binding cassette protein, putative 0.0023 0.027 0.0156
Echinococcus multilocularis solute carrier family 22 0.0015 0.0084 0.0283
Leishmania major p-glycoprotein 0.0073 0.1425 0.8559
Trichomonas vaginalis ABC transporter, putative 0.0073 0.1425 0.6461
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0073 0.1425 0.6461
Trichomonas vaginalis abcb9, putative 0.0073 0.1425 0.6461
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0023 0.027 0.1503
Brugia malayi hypothetical protein 0.0015 0.0084 0.028
Leishmania major lysyl-tRNA synthetase, putative 0.0023 0.0283 0.1584
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0032 0.0484 0.0404
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0469 0.0995
Echinococcus multilocularis solute carrier family 22 0.0015 0.0084 0.0283
Echinococcus granulosus solute carrier family 22 0.0015 0.0084 0.0283
Plasmodium vivax proline--tRNA ligase, putative 0.0037 0.0589 0.051
Schistosoma mansoni multidrug resistance protein 0.0073 0.1425 0.3133
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0073 0.1425 0.6461
Loa Loa (eye worm) hypothetical protein 0.0072 0.1397 0.3637
Toxoplasma gondii sugar transporter ST1 0.0015 0.0084 0.0091
Echinococcus granulosus lysyl tRNA synthetase 0.0023 0.0283 0.1217
Schistosoma mansoni glucose transporter 0.0015 0.0084 0.0134
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0013 0.0042 0.0046
Trichomonas vaginalis CAMK family protein kinase 0.0032 0.0484 0.1927
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.002 0.0211 0.0612
Giardia lamblia Hypothetical protein 0.0022 0.0252 0.4361
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0283 0.3046
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0031 0.0469 0.2083
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0072 0.1407 0.6476
Loa Loa (eye worm) hypothetical protein 0.0022 0.0252 0.0603
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.027 0.0897
Echinococcus multilocularis hyperpolarization activated cyclic 0.002 0.0211 0.0878
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0484 0.2156
Brugia malayi multidrug resistance protein 3 0.0073 0.1425 0.656
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0493 0.8107
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0031 0.0469 0.2086
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0283 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0073 0.1425 1
Plasmodium falciparum calcium-dependent protein kinase 4 0.0032 0.0484 0.0461
Plasmodium vivax ABC transporter B family member 5, putative 0.0023 0.027 0.0188
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0073 0.1425 0.6461
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0023 0.027 0.0188
Plasmodium falciparum ABC transporter B family member 4, putative 0.0023 0.027 0.0247
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0022 0.0252 0.0809
Entamoeba histolytica P-glycoprotein 6, putative 0.0023 0.027 0.0156
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0082 0.1631 0.7523
Entamoeba histolytica P-glycoprotein-2 0.0073 0.1425 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0176 0.38 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0105 0.216 1
Entamoeba histolytica multidrug resistance protein, putative 0.0023 0.027 0.0156
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0031 0.0469 1
Echinococcus multilocularis sodium channel protein 0.0083 0.1661 0.7665
Brugia malayi ABC transporter transmembrane region family protein 0.0023 0.027 0.1152
Loa Loa (eye worm) hypothetical protein 0.0031 0.0469 0.1178
Echinococcus multilocularis calcium dependent protein kinase 0.003 0.0438 0.1942
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0283 0.0201
Toxoplasma gondii protein kinase, putative 0.0296 0.6571 1
Toxoplasma gondii hypothetical protein 0.0176 0.38 0.5768
Entamoeba histolytica P-glycoprotein-5 0.0073 0.1425 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0158
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0073 0.1425 0.6461
Entamoeba histolytica hypothetical protein 0.0023 0.027 0.0156
Entamoeba histolytica P-glycoprotein-2 0.0073 0.1425 1
Toxoplasma gondii transporter, major facilitator family protein 0.0015 0.0084 0.0091
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0283 0.0961
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0073 0.1425 0.6561
Giardia lamblia Multidrug resistance-associated protein Mrp2 0.0022 0.0252 0.4361
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0105 0.216 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.1425 0.3711
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0023 0.027 0.055
Brugia malayi multidrug resistance related protein 1 0.0023 0.027 0.1152
Plasmodium falciparum calcium-dependent protein kinase 3 0.0032 0.0484 0.0461
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0158
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0032 0.0484 0.1218
Schistosoma mansoni voltage-gated potassium channel 0.0089 0.1794 0.3957
Schistosoma mansoni voltage-gated potassium channel 0.002 0.0211 0.0418
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0023 0.027 0.1503
Loa Loa (eye worm) hypothetical protein 0.0023 0.027 0.0652
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0105 0.216 1
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0015 0.0084 0.2954
Schistosoma mansoni protein kinase 0.0032 0.0484 0.1028
Toxoplasma gondii sugar transporter ST2 0.0015 0.0084 0.0091
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.8107
Schistosoma mansoni multidrug resistance protein 0.0023 0.027 0.055
Schistosoma mansoni multidrug resistance protein 0.0073 0.1425 0.3133
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.8107
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.002 0.0211 0.0612
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0073 0.1425 0.6561
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0073 0.1425 0.6461
Loa Loa (eye worm) sugar transporter 0.0015 0.0084 0.0158
Schistosoma mansoni multidrug resistance protein 0.0023 0.027 0.055
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0084 0.028
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0015 0.0084 0.0134
Trypanosoma brucei glucose transporter 2A 0.0032 0.0493 0.8107
Plasmodium vivax multidrug resistance protein 1, putative 0.0073 0.1425 0.1353
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0073 0.1425 1
Brugia malayi Sugar transporter family protein 0.0105 0.216 1
Echinococcus multilocularis expressed conserved protein 0.0012 0.0024 0.0004
Brugia malayi ABC transporter family protein 0.0023 0.027 0.1152
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0158
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0023 0.027 0.9531
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0073 0.1425 0.6561
Loa Loa (eye worm) hypothetical protein 0.0032 0.0484 0.1218
Loa Loa (eye worm) hypothetical protein 0.0025 0.0333 0.0818
Echinococcus multilocularis solute carrier family 22 0.0015 0.0084 0.0283
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0484 0.2156
Leishmania major p-glycoprotein e 0.0023 0.027 0.1503
Brugia malayi lysyl-tRNA synthetase 0.0023 0.0283 0.1214
Echinococcus granulosus multidrug resistance protein 1 0.0051 0.0918 0.4186
Echinococcus granulosus solute carrier family 22 0.0015 0.0084 0.0283
Schistosoma mansoni multidrug resistance protein 0.0023 0.027 0.055
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0032 0.0484 0.2153
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0023 0.027 0.9531
Loa Loa (eye worm) hypothetical protein 0.0176 0.38 1
Entamoeba histolytica P-glycoprotein-1 0.0073 0.1425 1
Schistosoma mansoni multidrug resistance protein 0.0022 0.0252 0.0509
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0022 0.0252 0.0809
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0073 0.1425 0.3711
Echinococcus multilocularis ATP binding cassette sub family B 0.0023 0.027 0.1155
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0023 0.027 0.0376
Toxoplasma gondii facilitative glucose transporter GT1 0.0105 0.216 0.3263
Echinococcus granulosus multidrug resistance associated protein 1 0.0023 0.027 0.1155
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0283 0.058
Plasmodium falciparum hexose transporter 0.0105 0.216 0.2142
Giardia lamblia ABC transporter, putative 0.0023 0.027 0.4837
Echinococcus granulosus ATP binding cassette sub family B 0.0023 0.027 0.1155
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0073 0.1425 0.6461
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.8107
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0072 0.1398 0.6329
Trichomonas vaginalis ABC transporter, putative 0.0073 0.1425 0.6461
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0051 0.0918 0.4016
Plasmodium falciparum ABC transporter B family member 6, putative 0.0023 0.027 0.0247
Trypanosoma cruzi hexose transporter, putative 0.0018 0.0154 0.1383
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0023 0.027 0.0376
Leishmania major protein kinase, putative 0.0032 0.0484 0.2809
Echinococcus granulosus hyperpolarization activated cyclic 0.002 0.0211 0.0878
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0084 0.028
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0283 0.395
Echinococcus multilocularis lysyl tRNA synthetase 0.0023 0.0283 0.1217
Echinococcus multilocularis General substrate transporter 0.009 0.1821 0.841
Schistosoma mansoni voltage-gated potassium channel 0.0027 0.0373 0.0781
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0022 0.0252 0.0809
Echinococcus granulosus cyclic nucleotide gated cation channel 0.002 0.0211 0.0878
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0493 0.1973
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0015 0.0084 0.0283
Loa Loa (eye worm) hypothetical protein 0.0023 0.027 0.0652
Plasmodium falciparum calcium-dependent protein kinase 5 0.0032 0.0484 0.0461
Schistosoma mansoni multidrug resistance protein 0.0073 0.1425 0.3133
Entamoeba histolytica ABC transporter, putative 0.0023 0.027 0.0156
Schistosoma mansoni glucose transport protein 0.0105 0.216 0.4776
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.002 0.0202 0.0882
Brugia malayi Sugar transporter family protein 0.0015 0.0084 0.028
Schistosoma mansoni 60S ribosomal protein L21 0.0017 0.014 0.0259
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0073 0.1425 0.6461
Brugia malayi major facilitator superfamily protein 0.0015 0.0084 0.028
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0073 0.1425 0.6461
Brugia malayi ABC transporter 0.0022 0.0252 0.1066
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0073 0.1425 0.6561
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0073 0.1425 0.6561
Echinococcus granulosus cyclic nucleotide gated cation channel 0.002 0.0211 0.0878
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0073 0.1425 0.6461
Echinococcus multilocularis ATP binding cassette sub family B 0.0072 0.1407 0.6476
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0073 0.1425 0.2141
Loa Loa (eye worm) hypothetical protein 0.0073 0.1425 0.3711
Echinococcus multilocularis multidrug resistance protein 1 0.0073 0.1425 0.6561
Echinococcus granulosus General substrate transporter 0.009 0.1821 0.841
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0158
Plasmodium vivax ABC transporter B family member 4, putative 0.0023 0.027 0.0188
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.002 0.0211 0.0878
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0023 0.027 0.0376
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0589 0.3451
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0283 0.026
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0589 1
Toxoplasma gondii ABC transporter, putative 0.0023 0.027 0.0376
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0023 0.027 0.0376
Echinococcus multilocularis 0.0023 0.027 0.1155
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0023 0.027 0.1503
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0083 0.1661 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0023 0.027 0.0156
Trypanosoma cruzi ABC transporter of the mitochondrion, putative 0.0023 0.027 0.3687
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0082 0.1631 0.7524
Echinococcus multilocularis multidrug resistance protein 1 0.0051 0.0918 0.4186
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0031 0.0469 0.1855
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.8107
Trypanosoma brucei ABC transporter, mitochondrial, putative 0.0023 0.027 0.3687
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0023 0.027 1
Schistosoma mansoni sugar transporter 0.0015 0.0084 0.0134
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0084 0.0158
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0072 0.1398 0.6329
Entamoeba histolytica P-glycoprotein-2, putative 0.0073 0.1425 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0073 0.1425 0.6561
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0031 0.0469 0.2083
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0027 0.0373 0.1636
Toxoplasma gondii ABC transporter family protein 0.0023 0.027 0.0376
Leishmania major glucose transporter, lmgt2 0.0032 0.0493 0.2867
Schistosoma mansoni protein kinase 0.0032 0.0484 0.1028
Mycobacterium tuberculosis Iron-regulated transporter IrtA 0.0023 0.027 0.1389
Trypanosoma brucei glucose transporter 1E 0.0032 0.0493 0.8107
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0493 0.1973
Echinococcus multilocularis multidrug resistance protein 1 0.0073 0.1425 0.6561
Schistosoma mansoni smdr1 0.0023 0.027 0.055
Brugia malayi ABC transporter family protein 0.0073 0.1425 0.656
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.002 0.0211 0.0495
Plasmodium vivax hexose transporter 0.0105 0.216 0.2094
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0032 0.0484 0.0703
Trichomonas vaginalis ABC transporter, putative 0.0073 0.1425 0.6461
Entamoeba histolytica ATP-binding cassette protein, putative 0.0023 0.027 0.0156
Loa Loa (eye worm) hypothetical protein 0.0072 0.1407 0.3663
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0073 0.1425 0.6461
Plasmodium vivax calcium-dependent protein kinase, putative 0.0032 0.0484 0.0404
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0012 0.0024 0.0004
Schistosoma mansoni smdr2 0.0073 0.1425 0.3133
Brugia malayi ABC transporter 0.0023 0.027 0.1152
Echinococcus granulosus synaptic vesicle 2 protein 0.0015 0.0084 0.0283
Trypanosoma brucei p-glycoprotein 0.0023 0.027 0.3687
Plasmodium vivax ABC transporter B family member 3, putative 0.0023 0.027 0.0188
Loa Loa (eye worm) hypothetical protein 0.0027 0.0373 0.0925
Trypanosoma brucei ABC transporter of the mitochondrion, putative 0.0023 0.027 0.3687
Schistosoma mansoni multidrug resistance protein 0.0023 0.027 0.055
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.8107
Brugia malayi Cam kinase protein 1 0.0032 0.0484 0.2153
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0023 0.027 0.9531
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0073 0.1425 0.6461
Echinococcus multilocularis ATP binding cassette sub family B 0.0023 0.027 0.1155
Plasmodium falciparum multidrug resistance-associated protein 2 0.0023 0.027 0.0247
Echinococcus granulosus Sugar transporter ERD6 protein 0.0015 0.0084 0.0283
Plasmodium vivax multidrug resistance protein 2, putative 0.0023 0.027 0.0188
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0158
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.002 0.0211 0.0878
Plasmodium falciparum proline--tRNA ligase 0.0037 0.0589 0.0566
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0493 0.1973
Echinococcus granulosus solute carrier family 22 0.0015 0.0084 0.0283
Entamoeba histolytica ATP-binding cassette protein, putative 0.0023 0.027 0.0156
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0493 0.8107
Chlamydia trachomatis lysine--tRNA ligase 0.0023 0.0283 0.1987
Mycobacterium ulcerans integral membrane transport protein 0.0015 0.0084 0.2954
Brugia malayi ABC transporter transmembrane region family protein 0.0023 0.027 0.1152
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0073 0.1425 0.6461
Loa Loa (eye worm) ABC transporter 0.0023 0.027 0.0652
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0073 0.1425 0.6461
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0484 0.2156
Brugia malayi major facilitator superfamily protein 0.0015 0.0084 0.028
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0073 0.1425 0.6461
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0484 0.1028
Echinococcus granulosus solute carrier family 22 0.0015 0.0084 0.0283
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0023 0.027 0.9531
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0073 0.1425 0.8559
Echinococcus granulosus cGMP dependent protein kinase 1 0.0012 0.0024 0.0004
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0015 0.0084 0.006
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0023 0.027 0.0376
Trichomonas vaginalis ABC transporter, putative 0.0073 0.1425 0.6461
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0032 0.0484 0.0404
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0158
Treponema pallidum prolyl-tRNA synthetase 0.0011 0 0.5
Entamoeba histolytica protein kinase, putative 0.0032 0.0484 0.1978
Plasmodium falciparum calcium-dependent protein kinase 2 0.0032 0.0484 0.0461
Leishmania major ABC-thiol transporter 0.0023 0.027 0.1503
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0031 0.0469 0.2086
Brugia malayi P-glycoprotein-like protein 0.0023 0.027 0.1152
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0484 0.2156
Onchocerca volvulus 0.0073 0.1425 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0073 0.1425 0.2141
Loa Loa (eye worm) sugar transporter 0.0105 0.216 0.5658
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0158
Giardia lamblia MRP-like ABC transporter 0.0023 0.027 0.4837
Mycobacterium tuberculosis Probable drugs-transport transmembrane ATP-binding protein ABC transporter 0.0023 0.027 0.1389
Plasmodium falciparum multidrug resistance protein 1 0.0073 0.1425 0.1405
Brugia malayi hypothetical protein 0.0015 0.0084 0.028
Brugia malayi ABC transporter family protein 0.0023 0.027 0.1152
Giardia lamblia Multidrug resistance-associated protein 1 0.0023 0.027 0.4837
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0493 0.1973
Echinococcus multilocularis multidrug resistance associated protein 7 0.0023 0.027 0.1155
Leishmania major glucose transporter, lmgt1 0.0032 0.0493 0.2867
Entamoeba histolytica P-glyco protein 6, putative 0.0073 0.1425 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0023 0.027 0.3687
Giardia lamblia Prolyl-tRNA synthetase 0.0031 0.0469 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0158
Schistosoma mansoni sugar transporter 0.0015 0.0084 0.0134
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0073 0.1425 0.6461
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0158
Echinococcus multilocularis multidrug resistance associated protein 1 0.0023 0.027 0.1155

Activities

Activity type Activity value Assay description Source Reference
Kd (functional) = 6.5 Antagonistic activity against rat aorta for affinity estimates representative of the Alpha-1D adrenergic receptor ChEMBL. 9276013
Kd (functional) = 7.9 Antagonistic activity against alpha 1A/1L receptor was assessed in a rabbit bladder neck functional assay ChEMBL. 9276013
pA2 (functional) = 6.5 Antagonistic activity against rat aorta for affinity estimates representative of the Alpha-1D adrenergic receptor ChEMBL. 9276013
pA2 (functional) = 7.9 Antagonistic activity against alpha 1A/1L receptor was assessed in a rabbit bladder neck functional assay ChEMBL. 9276013

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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