Detailed information for compound 223565

Basic information

Technical information
  • TDR Targets ID: 223565
  • Name: N-[2-(3-chlorophenoxy)ethyl]-3-phenoxypropan- 1-amine
  • MW: 305.799 | Formula: C17H20ClNO2
  • H donors: 1 H acceptors: 0 LogP: 4.12 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)OCCNCCCOc1ccccc1
  • InChi: 1S/C17H20ClNO2/c18-15-6-4-9-17(14-15)21-13-11-19-10-5-12-20-16-7-2-1-3-8-16/h1-4,6-9,14,19H,5,10-13H2
  • InChiKey: BJMUZOAJZPCYCW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(3-chlorophenoxy)ethyl]-3-phenoxy-propan-1-amine
  • N-[2-(3-chlorophenoxy)ethyl]-3-phenoxy-1-propanamine
  • 2-(3-chlorophenoxy)ethyl-(3-phenoxypropyl)amine
  • N-[2-(3-chlorophenoxy)ethyl]-3-(phenoxy)propan-1-amine
  • 2-(3-chlorophenoxy)ethyl-[3-(phenoxy)propyl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dopamine receptor D2 Starlite/ChEMBL References
Homo sapiens dopamine receptor D4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0487 0.0761
Schistosoma mansoni kinase 0.0055 0.1935 0.2401
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1025 0.1272
Echinococcus granulosus aldehyde reductase 0.0024 0.0587 0.0729
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0487 0.0761
Mycobacterium leprae conserved hypothetical protein 0.0037 0.1155 0.1509
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.0635 0.1121
Onchocerca volvulus 0.0034 0.1025 0.2397
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0635 0.1121
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0487 0.1139
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0098 0.3865 0.3756
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0108 0.4277 0.5308
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.1155 0.2701
Mycobacterium ulcerans hypothetical protein 0.0037 0.1155 1
Brugia malayi beta-lactamase family protein 0.0037 0.1155 0.2701
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.1155 0.0998
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0053 0.0066
Giardia lamblia DINP protein human, muc B family 0.0022 0.0487 0.0761
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.1155 0.1434
Onchocerca volvulus 0.0037 0.1155 0.2701
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1025 0.1272
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0487 0.0761
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0716 0.132
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1025 0.1272
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0015 0.0175 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0185 0.0025
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1025 0.1272
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0015 0.0175 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1025 0.2072
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1025 0.2072
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.1155 0.239
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1025 0.2072
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.1155 0.239
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1025 0.2072
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1025 0.2072
Plasmodium falciparum flap endonuclease 1 0.0025 0.0635 0.3689
Toxoplasma gondii ABC1 family protein 0.0037 0.1155 0.7865
Schistosoma mansoni tar DNA-binding protein 0.0072 0.2708 0.3361
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0185 0.0025
Brugia malayi glutathione reductase 0.0043 0.1422 0.3324
Loa Loa (eye worm) oxidoreductase 0.0034 0.1025 0.2397
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0034 0.1025 0.2072
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0487 0.0761
Schistosoma mansoni flap endonuclease-1 0.0023 0.0527 0.0654
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.4277 1
Onchocerca volvulus 0.0034 0.1025 0.2397
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.0635 0.1121
Loa Loa (eye worm) glutathione reductase 0.0043 0.1422 0.3324
Schistosoma mansoni tar DNA-binding protein 0.0072 0.2708 0.3361
Trypanosoma brucei prostaglandin f synthase 0.0034 0.1025 0.2072
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0098 0.3865 0.3756
Schistosoma mansoni aldo-keto reductase 0.0034 0.1025 0.1272
Leishmania major DNA polymerase kappa, putative 0.0022 0.0487 0.0761
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.1155 0.0998
Loa Loa (eye worm) RNA binding protein 0.0072 0.2708 0.6332
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0034 0.1025 0.2072
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1025 0.1272
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.1155 0.0998
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1696 0.2104
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.0635 0.3689
Plasmodium vivax thioredoxin reductase, putative 0.0043 0.1422 1
Trypanosoma brucei unspecified product 0.0022 0.0487 0.0761
Mycobacterium tuberculosis Conserved protein 0.0037 0.1155 0.0998
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.1155 0.239
Toxoplasma gondii aldose reductase, putative 0.0034 0.1025 0.6819
Loa Loa (eye worm) hypothetical protein 0.0037 0.1155 0.2701
Trypanosoma brucei trypanothione reductase 0.0043 0.1422 0.3039
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1696 0.2104
Loa Loa (eye worm) hypothetical protein 0.0037 0.1155 0.2701
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.4277 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0487 0.1139
Schistosoma mansoni tar DNA-binding protein 0.0072 0.2708 0.3361
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0487 0.0761
Brugia malayi Flap endonuclease-1 0.0025 0.0635 0.1485
Echinococcus multilocularis thioredoxin glutathione reductase 0.0044 0.1447 0.1796
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0487 0.1139
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0109 0.4351 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0098 0.3865 0.871
Echinococcus multilocularis flap endonuclease 1 0.0025 0.0635 0.0788
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0716 0.4343
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1025 0.1272
Loa Loa (eye worm) oxidoreductase 0.0034 0.1025 0.2397
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0487 0.3184
Loa Loa (eye worm) oxidoreductase 0.0034 0.1025 0.2397
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0716 0.4343
Schistosoma mansoni tar DNA-binding protein 0.0072 0.2708 0.3361
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1025 0.1272
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.1155 0.239
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.2708 0.6332
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0716 0.132
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0487 0.0605
Onchocerca volvulus 0.0034 0.1025 0.2397
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0034 0.1025 0.1163
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1025 0.2072
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0487 0.0761
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0716 0.4343
Trypanosoma brucei polo-like protein kinase 0.0108 0.4277 1
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.4277 1
Echinococcus granulosus aldo keto reductase 0.0034 0.1025 0.1272
Mycobacterium ulcerans lipase LipD 0.0037 0.1155 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0108 0.4277 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.1155 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0716 0.1675
Loa Loa (eye worm) hypothetical protein 0.0034 0.1025 0.2397
Schistosoma mansoni pol-related 0.0034 0.1025 0.1272
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0487 0.0761
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1025 0.1272
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.0635 0.1121
Trypanosoma cruzi trypanothione reductase, putative 0.0043 0.1422 0.3039
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1025 0.1272
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0034 0.1025 0.2072
Echinococcus granulosus dna polymerase eta 0.0022 0.0487 0.0605
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1025 0.2072
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.4277 1
Schistosoma mansoni hypothetical protein 0.0193 0.8059 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.1155 0.239
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0108 0.4277 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1155 0.2701
Brugia malayi beta-lactamase family protein 0.0037 0.1155 0.2701
Loa Loa (eye worm) hypothetical protein 0.0037 0.1155 0.2701
Trypanosoma brucei unspecified product 0.0015 0.0185 0.0025
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0487 0.0761
Brugia malayi hypothetical protein 0.0018 0.029 0.0679
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0487 0.0761
Mycobacterium tuberculosis Probable reductase 0.0098 0.3865 0.3756
Schistosoma mansoni hypothetical protein 0.0012 0.0053 0.0066
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0487 0.0318
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0034 0.1025 0.2397
Leishmania major DNA polymerase eta, putative 0.0022 0.0487 0.0761
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0487 0.0318
Brugia malayi TAR-binding protein 0.0072 0.2708 0.6332
Trypanosoma cruzi polo-like protein kinase, putative 0.0108 0.4277 1
Echinococcus multilocularis geminin 0.0193 0.8059 1
Leishmania major prostaglandin f synthase, putative 0.0034 0.1025 0.2072
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.1155 0.0998
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1025 0.1272
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1696 0.2104
Loa Loa (eye worm) hypothetical protein 0.0037 0.1155 0.2701
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0109 0.4351 0.425
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.1155 0.2701
Echinococcus multilocularis aldo keto reductase 0.0034 0.1025 0.1272
Trichomonas vaginalis aldo/keto reductase, putative 0.0034 0.1025 0.2072
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.1696 0.3965
Leishmania major aldo-keto reductase-like protein 0.0034 0.1025 0.2072
Echinococcus multilocularis dna polymerase eta 0.0022 0.0487 0.0605
Trypanosoma cruzi aldo/keto reductase, putative 0.0034 0.1025 0.2072
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.1155 0.0998
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0487 0.1139
Onchocerca volvulus 0.0034 0.1025 0.2397
Loa Loa (eye worm) TAR-binding protein 0.0072 0.2708 0.6332
Onchocerca volvulus 0.0037 0.1155 0.2701
Schistosoma mansoni hypothetical protein 0.0193 0.8059 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1025 0.1272
Mycobacterium tuberculosis Conserved protein 0.0037 0.1155 0.0998
Echinococcus granulosus tar DNA binding protein 0.0072 0.2708 0.3361
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0635 0.3689
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1025 0.2072
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0487 0.0605
Echinococcus granulosus flap endonuclease 1 0.0025 0.0635 0.0788
Onchocerca volvulus 0.0037 0.1155 0.2701
Mycobacterium tuberculosis Probable oxidoreductase 0.0109 0.4351 0.425
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0108 0.4277 0.5308
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1025 0.1272
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0487 0.0761
Giardia lamblia Aldose reductase 0.0034 0.1025 0.2072
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0487 0.0761
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.0635 0.1121
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0034 0.1025 0.2072
Schistosoma mansoni DNA polymerase eta 0.0022 0.0487 0.0605
Entamoeba histolytica Flap nuclease, putative 0.0025 0.0635 0.039
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1025 0.1272
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0098 0.3865 0.3756
Mycobacterium ulcerans beta-lactamase 0.0037 0.1155 1
Giardia lamblia Kinase, PLK 0.0108 0.4277 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.1155 0.1434
Trypanosoma brucei aldo-keto reductase, putative 0.0034 0.1025 0.2072
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0098 0.3865 0.3756
Trichomonas vaginalis aldo/keto reductase, putative 0.0034 0.1025 0.2072
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0053 0.0066
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1696 0.2104
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0185 0.0025
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1025 0.1272
Trichomonas vaginalis esterase, putative 0.0037 0.1155 0.239
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1696 0.2104
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.1155 0.0998
Brugia malayi hypothetical protein 0.0027 0.0716 0.1675
Trypanosoma brucei unspecified product 0.0015 0.0185 0.0025
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0015 0.0175 0.0217
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0034 0.1025 0.2397
Echinococcus multilocularis aldo keto reductase 0.0034 0.1025 0.1272
Echinococcus multilocularis tar DNA binding protein 0.0072 0.2708 0.3361
Echinococcus granulosus dna polymerase kappa 0.0022 0.0487 0.0605
Giardia lamblia Aldose reductase 0.0034 0.1025 0.2072
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0487 0.0761
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0034 0.1025 0.2072
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0716 0.132
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1025 0.1272
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0487 0.0761
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0487 0.3184
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0487 0.0761
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.1155 1
Loa Loa (eye worm) beta-lactamase 0.0037 0.1155 0.2701
Plasmodium vivax hypothetical protein, conserved 0.0037 0.1155 0.7865
Loa Loa (eye worm) oxidoreductase 0.0034 0.1025 0.2397
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.1155 0.1434
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1696 0.2104
Trichomonas vaginalis aldo/keto reductase, putative 0.0034 0.1025 0.2072
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0108 0.4277 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1025 0.1272
Echinococcus granulosus hypothetical protein 0.0034 0.1025 0.1272
Brugia malayi RNA binding protein 0.0072 0.2708 0.6332
Echinococcus granulosus geminin 0.0193 0.8059 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0108 0.4277 1
Loa Loa (eye worm) thioredoxin reductase 0.0043 0.1422 0.3324
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0034 0.1025 0.2397
Echinococcus multilocularis aldo keto reductase 0.0034 0.1025 0.1272
Mycobacterium tuberculosis Conserved protein 0.0037 0.1155 0.0998
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0487 0.0605
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0015 0.0175 0.0217
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0487 0.0761
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1025 0.1272
Echinococcus granulosus thioredoxin glutathione reductase 0.0044 0.1447 0.1796
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0487 0.0761
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.1155 0.239
Plasmodium falciparum glutathione reductase 0.0043 0.1422 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1025 0.2072
Brugia malayi Thioredoxin reductase 0.0043 0.1422 0.3324
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1025 0.1272
Leishmania major hypothetical protein, conserved 0.0027 0.0716 0.132
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1025 0.2072
Echinococcus multilocularis aldo keto reductase 0.0034 0.1025 0.1272
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0487 0.0761
Mycobacterium tuberculosis Probable dehydrogenase 0.0098 0.3865 0.3756
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.1155 0.1434
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.1155 0.239
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0487 0.0761
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.1696 0.3965
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.1155 0.239
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0487 0.0761
Mycobacterium ulcerans oxidoreductase 0.0034 0.1025 0.8671
Onchocerca volvulus 0.0034 0.1025 0.2397
Echinococcus granulosus aldo keto reductase 0.0034 0.1025 0.1272
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0034 0.1025 0.2397
Plasmodium falciparum thioredoxin reductase 0.0043 0.1422 1
Mycobacterium leprae Probable lipase LipE 0.0037 0.1155 0.1509
Leishmania major hypothetical protein, conserved 0.0037 0.1155 0.239
Mycobacterium tuberculosis Probable oxidoreductase 0.0034 0.1025 0.0865
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0015 0.0175 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.4277 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1025 0.2072
Trypanosoma cruzi polo-like protein kinase, putative 0.0108 0.4277 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0109 0.4351 0.425
Leishmania major trypanothione reductase 0.0043 0.1422 0.3039
Treponema pallidum NADH oxidase 0.0015 0.0175 0.5
Plasmodium vivax glutathione reductase, putative 0.0043 0.1422 1
Trypanosoma cruzi aldo-keto reductase 0.0034 0.1025 0.2072
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.1872 0.4137
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.4277 1
Loa Loa (eye worm) oxidoreductase 0.0034 0.1025 0.2397
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0015 0.0175 0.041
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.4277 1
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0487 0.0605
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1025 0.1272
Brugia malayi beta-lactamase 0.0037 0.1155 0.2701
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.4277 0.5308
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.2708 0.6332
Schistosoma mansoni tar DNA-binding protein 0.0072 0.2708 0.3361
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.1872 0.4137
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0487 0.0761
Entamoeba histolytica aldose reductase, putative 0.0034 0.1025 0.1419
Entamoeba histolytica serine/threonine protein kinase, putative 0.0108 0.4277 1
Entamoeba histolytica aldose reductase, putative 0.0034 0.1025 0.1419
Echinococcus granulosus aldo keto reductase 0.0034 0.1025 0.1272
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.1155 0.0998
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0487 0.0761
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0716 0.4343
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1025 0.1272
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0043 0.1422 0.1269
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0487 0.0761
Loa Loa (eye worm) hypothetical protein 0.0037 0.1155 0.2701
Echinococcus multilocularis aldehyde reductase 0.0024 0.0587 0.0729
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1696 0.2104
Onchocerca volvulus 0.0034 0.1025 0.2397
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1025 0.2072
Schistosoma mansoni aldo-keto reductase 0.0034 0.1025 0.1272
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0635 0.1485
Toxoplasma gondii thioredoxin reductase 0.0043 0.1422 1
Entamoeba histolytica aldose reductase, putative 0.0034 0.1025 0.1419
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0015 0.0175 0.0217
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0487 0.0605

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 7.66 Binding affinity to displace [3H]-spiperone from cloned human dopamine receptor D2 was determined ChEMBL. 15808487
Ki (binding) = 9.51 Binding affinity to displace [3H]-spiperone from cloned human dopamine receptor D4 was determined ChEMBL. 15808487
Ki (binding) = 0.31 nM Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone ChEMBL. 9406594
Ki (binding) = 0.31 nM Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone ChEMBL. 9406594
Ki (binding) = 22 nM Binding affinity against cloned human dopamine receptor D2 expressed in Chinese hamster ovary (CHO) K-1 cells by displacement of [3H]-spiperone. ChEMBL. 9406594
Ki (binding) = 22 nM Binding affinity against cloned human dopamine receptor D2 expressed in Chinese hamster ovary (CHO) K-1 cells by displacement of [3H]-spiperone. ChEMBL. 9406594
Log 1/Ki (binding) = 7.66 Binding affinity to displace [3H]-spiperone from cloned human dopamine receptor D2 was determined ChEMBL. 15808487
Log 1/Ki (binding) = 9.51 Binding affinity to displace [3H]-spiperone from cloned human dopamine receptor D4 was determined ChEMBL. 15808487
Selectivity (binding) = 7.15 Selectivity of compound towards human dopamine receptor D2 over human dopamine receptor D4 ChEMBL. 15808487
Selectivity ratio (binding) = 71 Selectivity ratio is Ki of human dopamine D2 receptor to that of human dopamine D4 receptor. ChEMBL. 9406594

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

2 literature references were collected for this gene.

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