Detailed information for compound 65168

Basic information

Technical information
  • TDR Targets ID: 65168
  • Name: 1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triaz onan-1-yl]-5-piperidin-1-ylpentan-1-one
  • MW: 619.627 | Formula: C34H40Cl2N6O
  • H donors: 0 H acceptors: 3 LogP: 6.46 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc2c(c1)nccc2N1CCN(CCN(CC1)c1ccnc2c1ccc(c2)Cl)C(=O)CCCCN1CCCCC1
  • InChi: 1S/C34H40Cl2N6O/c35-26-7-9-28-30(24-26)37-13-11-32(28)40-18-19-41(33-12-14-38-31-25-27(36)8-10-29(31)33)21-23-42(22-20-40)34(43)6-2-5-17-39-15-3-1-4-16-39/h7-14,24-25H,1-6,15-23H2
  • InChiKey: NQWIYFYXGPVRGH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-5-(1-piperidyl)pentan-1-one
  • 1-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-5-(1-piperidyl)-1-pentanone
  • 1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-5-piperidin-1-yl-pentan-1-one
  • 1-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-5-piperidino-pentan-1-one

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Beta tubulin 0.0659435 0.727433 1
Loa Loa (eye worm) alpha-tubulin 0.0443957 0.469841 0.645889
Echinococcus multilocularis ATP binding cassette sub family G 0.0104555 0.0641042 0.0704589
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0203395 0.182261 0.236036
Giardia lamblia Beta tubulin 0.0659435 0.727433 1
Echinococcus multilocularis tubulin beta 1 chain 0.0659435 0.727433 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0659435 0.727433 1
Trichomonas vaginalis tubulin beta chain, putative 0.0189254 0.165357 0.0856188
Schistosoma mansoni alpha tubulin 0.0443957 0.469841 0.63903
Brugia malayi Tubulin beta chain 0.0189254 0.165357 0.212346
Leishmania major beta tubulin 0.0659435 0.727433 1
Schistosoma mansoni ABC transporter 0.00890719 0.0455945 0.0445208
Trypanosoma cruzi epsilon tubulin, putative 0.0334481 0.338969 0.455634
Loa Loa (eye worm) tubulin alpha 2 0.0298729 0.296229 0.407225
Loa Loa (eye worm) tubulin alpha-2 chain 0.0443957 0.469841 0.645889
Plasmodium falciparum fructose-bisphosphate aldolase 0.0203395 0.182261 0.236036
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0241033 0.227256 0.299088
Onchocerca volvulus 0.0592531 0.647453 1
Loa Loa (eye worm) alpha-tubulin 0.0443957 0.469841 0.645889
Brugia malayi alpha-tubulin 0.0443957 0.469841 0.63903
Echinococcus multilocularis TNFR CD27 30 40 95 cysteine rich region 0.0309932 0.309621 0.414508
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0592531 0.647453 0.879514
Echinococcus granulosus tumor necrosis factor receptor superfamily 0.0309932 0.309621 0.414508
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0203395 0.182261 0.236036
Brugia malayi Tubulin alpha chain 0.0443957 0.469841 0.63903
Schistosoma mansoni tubulin subunit beta 0.0659435 0.727433 1
Schistosoma mansoni tubulin subunit beta 0.0659435 0.727433 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0189254 0.165357 0.0856188
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0203395 0.182261 0.236036
Brugia malayi Tubulin beta-1 chain 0.0659435 0.727433 1
Schistosoma mansoni tubulin subunit alpha 0.0145228 0.112726 0.138594
Plasmodium falciparum tubulin delta chain, putative 0.0145228 0.112726 0.138594
Schistosoma mansoni tubulin subunit beta 0.0659435 0.727433 1
Leishmania major beta tubulin 0.0659435 0.727433 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0443957 0.469841 0.580952
Leishmania major alpha tubulin 0.0443957 0.469841 0.63903
Leishmania major beta tubulin 0.0659435 0.727433 1
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0203395 0.182261 0.236036
Leishmania major alpha tubulin 0.0443957 0.469841 0.63903
Leishmania major beta tubulin 0.0659435 0.727433 1
Schistosoma mansoni tubulin subunit delta 0.0145228 0.112726 0.138594
Trypanosoma brucei epsilon tubulin 0.0334481 0.338969 0.414371
Toxoplasma gondii beta-1 tubulin, putative 0.0659435 0.727433 1
Echinococcus granulosus tubulin alpha 3 chain 0.0443957 0.469841 0.63903
Entamoeba histolytica tubulin alpha-1 chain 0.0443957 0.469841 0.611668
Echinococcus multilocularis tubulin delta chain 0.0145228 0.112726 0.138594
Trypanosoma brucei beta tubulin 0.0659435 0.727433 1
Plasmodium vivax tubulin beta chain, putative 0.0659435 0.727433 1
Trichomonas vaginalis tubulin beta chain, putative 0.0443957 0.469841 0.580952
Brugia malayi tubulin alpha-2 chain 0.0443957 0.469841 0.63903
Echinococcus granulosus TNFR CD27 30 40 95 cysteine rich region 0.0309932 0.309621 0.414508
Toxoplasma gondii fructose-bisphosphate aldolase, putative 0.0203395 0.182261 0.236036
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0334481 0.338969 0.455634
Leishmania major alpha tubulin 0.0443957 0.469841 0.63903
Echinococcus multilocularis ATP binding cassette sub family G 0.0104555 0.0641042 0.0704589
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0145228 0.112726 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.0659435 0.727433 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0145228 0.112726 0.138594
Loa Loa (eye worm) hypothetical protein 0.00624957 0.0138241 0.019004
Trichomonas vaginalis tubulin epsilon chain, putative 0.0443957 0.469841 0.580952
Echinococcus granulosus tubulin beta 1 chain 0.0659435 0.727433 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0443957 0.469841 0.63903
Mycobacterium leprae cell division protein FtsZ 0.0145228 0.112726 1
Echinococcus multilocularis Ankyrin 0.0241033 0.227256 0.299088
Echinococcus granulosus tubulin subunit beta 0.0659435 0.727433 1
Echinococcus multilocularis netrin receptor unc 5 0.0241033 0.227256 0.299088
Echinococcus granulosus beta tubulin 0.0659435 0.727433 1
Echinococcus multilocularis tubulin subunit beta 0.0659435 0.727433 1
Brugia malayi ABC transporter family protein 0.00890719 0.0455945 0.0445208
Trypanosoma brucei alpha tubulin 0.0443957 0.469841 0.611668
Trypanosoma brucei beta tubulin 0.0659435 0.727433 1
Schistosoma mansoni tubulin subunit alpha 0.0443957 0.469841 0.63903
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0171576 0.144224 0.182734
Leishmania major alpha tubulin 0.0443957 0.469841 0.63903
Echinococcus granulosus ATP binding cassette sub family G 0.0104555 0.0641042 0.0704589
Echinococcus multilocularis tubulin alpha 1C chain 0.0443957 0.469841 0.63903
Leishmania major beta tubulin 0.0659435 0.727433 1
Brugia malayi Tubulin alpha-2 chain 0.0443957 0.469841 0.63903
Leishmania major beta tubulin 0.0659435 0.727433 1
Echinococcus granulosus tubulin subunit TubB 0.0443957 0.469841 0.63903
Leishmania major gamma-tubulin 0.0334481 0.338969 0.455634
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 0.0104555 0.0641042 0.0704589
Plasmodium vivax tubulin alpha chain, putative 0.0443957 0.469841 0.63903
Loa Loa (eye worm) hypothetical protein 0.00624957 0.0138241 0.019004
Echinococcus multilocularis tubulin alpha chain 0.0443957 0.469841 0.63903
Brugia malayi tubulin alpha chain - mouse 0.0443957 0.469841 0.63903
Schistosoma mansoni tubulin subunit alpha 0.0443957 0.469841 0.63903
Schistosoma mansoni tubulin subunit beta 0.0145228 0.112726 0.138594
Leishmania major alpha tubulin 0.0443957 0.469841 0.63903
Entamoeba histolytica tubulin family protein 0.0659435 0.727433 1
Loa Loa (eye worm) beta-tubulin 0.0659435 0.727433 1
Brugia malayi Tubulin alpha-2 chain 0.0443957 0.469841 0.63903
Schistosoma mansoni tubulin subunit alpha 0.0443957 0.469841 0.63903
Loa Loa (eye worm) hypothetical protein 0.0241033 0.227256 0.312408
Schistosoma mansoni tubulin subunit gamma 0.0334481 0.338969 0.455634
Loa Loa (eye worm) tubulin gamma chain 0.0334481 0.338969 0.465979
Loa Loa (eye worm) hypothetical protein 0.00624957 0.0138241 0.019004
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0203395 0.182261 0.236036
Echinococcus multilocularis Tubulin alpha 1 chain 0.0443957 0.469841 0.63903
Leishmania major fructose-1,6-bisphosphate aldolase 0.0203395 0.182261 0.236036
Echinococcus granulosus tubulin beta 4A class IVa 0.0659435 0.727433 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0592531 0.647453 0.879427
Loa Loa (eye worm) hypothetical protein 0.00624957 0.0138241 0.019004
Echinococcus multilocularis tumor necrosis factor receptor superfamily 0.0309932 0.309621 0.414508
Loa Loa (eye worm) hypothetical protein 0.010155 0.0605115 0.083185
Echinococcus multilocularis fructose bisphosphate aldolase class I 0.0203395 0.182261 0.236036
Echinococcus granulosus Tubulin beta 2C chain 0.0659435 0.727433 1
Leishmania major delta tubulin, putative 0.0145228 0.112726 0.138594
Trichomonas vaginalis tubulin beta chain, putative 0.0443957 0.469841 0.580952
Trypanosoma brucei tubulin gamma chain 0.0334481 0.338969 0.414371
Treponema pallidum cell division protein FtsZ 0.0145228 0.112726 0.5
Trypanosoma cruzi alpha tubulin, putative 0.0443957 0.469841 0.63903
Plasmodium vivax tubulin gamma chain, putative 0.0334481 0.338969 0.455634
Schistosoma mansoni hypothetical protein 0.0241033 0.227256 0.299088
Schistosoma mansoni ankyrin 23/unc44 0.0241033 0.227256 0.299088
Trypanosoma brucei zeta tubulin 0.0145228 0.112726 0.0732997
Plasmodium vivax ABC transporter G family member 2, putative 0.0104555 0.0641042 0.0704589
Echinococcus multilocularis Tubulin alpha 1 chain 0.0443957 0.469841 0.63903
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.0104555 0.0641042 0.0704589
Trichomonas vaginalis tubulin beta chain, putative 0.0443957 0.469841 0.580952
Brugia malayi fructose-bisphosphate aldolase 1 0.0203395 0.182261 0.236036
Plasmodium falciparum tubulin gamma chain 0.0334481 0.338969 0.455634
Leishmania major alpha tubulin 0.0443957 0.469841 0.63903
Echinococcus granulosus fructose bisphosphate aldolase class I 0.0203395 0.182261 0.236036
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0104555 0.0641042 0.0509849
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0203395 0.182261 0.236036
Echinococcus granulosus tubulin alpha 0.0334481 0.338969 0.455634
Echinococcus granulosus Tubulin alpha 1 chain 0.0443957 0.469841 0.63903
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0592531 0.647453 0.86989
Leishmania major alpha tubulin 0.0443957 0.469841 0.63903
Loa Loa (eye worm) fructose-bisphosphate aldolase 1 0.0203395 0.182261 0.250554
Leishmania major beta tubulin 0.0659435 0.727433 1
Leishmania major beta tubulin 0.0659435 0.727433 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0189254 0.165357 0.0856188
Echinococcus multilocularis tubulin alpha chain 0.0443957 0.469841 0.63903
Loa Loa (eye worm) tubulin beta chain 0.0659435 0.727433 1
Echinococcus granulosus Tubulin beta 2C chain 0.0659435 0.727433 1
Echinococcus multilocularis beta tubulin 0.0659435 0.727433 1
Trichomonas vaginalis tubulin, putative 0.0189254 0.165357 0.0856188
Toxoplasma gondii beta tubulin 0.0659435 0.727433 1
Echinococcus multilocularis tubulin alpha chain 0.0443957 0.469841 0.63903
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0592531 0.647453 0.887923
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0241033 0.227256 0.299088
Trypanosoma brucei alpha tubulin 0.0443957 0.469841 0.611668
Mycobacterium ulcerans cell division protein FtsZ 0.0145228 0.112726 0.100288
Echinococcus granulosus Tubulin alpha 1 chain 0.0443957 0.469841 0.63903
Leishmania major beta tubulin 0.0659435 0.727433 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0659435 0.727433 1
Echinococcus granulosus ATP binding cassette sub family G 0.0104555 0.0641042 0.0704589
Plasmodium falciparum tubulin epsilon chain, putative 0.0334481 0.338969 0.455634
Plasmodium falciparum alpha tubulin 1 0.0443957 0.469841 0.63903
Brugia malayi Tubulin alpha chain 0.0145228 0.112726 0.138594
Onchocerca volvulus Netrin receptor homolog 0.0241033 0.227256 0.33684
Trypanosoma brucei tubulin delta chain 0.0145228 0.112726 0.0732997
Loa Loa (eye worm) tubulin beta-4 chain 0.0659435 0.727433 1
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0592531 0.647453 0.890052
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0592531 0.647453 0.86989
Giardia lamblia Delta tubulin 0.0145228 0.112726 0.0739668
Leishmania major alpha tubulin 0.0443957 0.469841 0.63903
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0592531 0.647453 0.86989
Loa Loa (eye worm) hypothetical protein 0.0443957 0.469841 0.645889
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0203395 0.182261 0.236036
Loa Loa (eye worm) tubulin beta-2A chain 0.0659435 0.727433 1
Echinococcus granulosus tubulin delta chain 0.0145228 0.112726 0.138594
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0203395 0.182261 0.236036
Echinococcus granulosus ATP binding cassette sub family G 0.0104555 0.0641042 0.0704589
Echinococcus multilocularis tubulin subunit TubB 0.0443957 0.469841 0.63903
Leishmania major alpha tubulin 0.0443957 0.469841 0.63903
Echinococcus granulosus tubulin epsilon chain 0.0334481 0.338969 0.455634
Trypanosoma cruzi epsilon tubulin, putative 0.0334481 0.338969 0.455634
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0592531 0.647453 0.879427
Schistosoma mansoni tubulin subunit beta 0.0659435 0.727433 1
Echinococcus granulosus Tubulin beta 2C chain 0.0659435 0.727433 1
Entamoeba histolytica tubulin alpha chain, putative 0.0443957 0.469841 0.611668
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0592531 0.647453 0.86989
Toxoplasma gondii alpha tubulin TUBA1 0.0443957 0.469841 0.63903
Giardia lamblia Gamma tubulin 0.0334481 0.338969 0.414793
Echinococcus multilocularis tubulin alpha chain 0.0443957 0.469841 0.63903
Trichomonas vaginalis tubulin gamma chain, putative 0.0334481 0.338969 0.36805
Trypanosoma cruzi ATP-binding cassette protein, putative 0.0104555 0.0641042 0.0704589
Trypanosoma cruzi zeta tubulin, putative 0.0145228 0.112726 0.138594
Trichomonas vaginalis tubulin alpha chain, putative 0.0334481 0.338969 0.36805
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0298729 0.296229 0.407225
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0241033 0.227256 0.312408
Echinococcus multilocularis Tubulin beta 2C chain 0.0659435 0.727433 1
Plasmodium vivax delta tubulin, putative 0.0145228 0.112726 0.138594
Trichomonas vaginalis tubulin beta chain, putative 0.0443957 0.469841 0.580952
Echinococcus multilocularis beta tubulin 0.0659435 0.727433 1
Trypanosoma cruzi beta tubulin, putative 0.0659435 0.727433 1
Echinococcus granulosus tubulin alpha chain 0.0443957 0.469841 0.63903
Schistosoma mansoni hypothetical protein 0.00886721 0.0451167 0.0438511
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0203395 0.182261 0.236036
Leishmania major alpha tubulin 0.0443957 0.469841 0.63903
Leishmania major alpha tubulin 0.0443957 0.469841 0.63903
Brugia malayi Tubulin gamma chain 0.0334481 0.338969 0.455634
Giardia lamblia Alpha-tubulin 0.0443957 0.469841 0.611948
Brugia malayi Death domain containing protein 0.0241033 0.227256 0.299088
Loa Loa (eye worm) tubulin alpha chain 0.0443957 0.469841 0.645889
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0659435 0.727433 1
Leishmania major beta tubulin 0.0659435 0.727433 1
Plasmodium falciparum tubulin beta chain 0.0659435 0.727433 1
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0203395 0.182261 0.236036
Schistosoma mansoni alpha tubulin 0.0443957 0.469841 0.63903
Echinococcus granulosus alpha tubulin 0.0443957 0.469841 0.63903
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0145228 0.112726 0.138594
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0203395 0.182261 0.236036
Echinococcus granulosus netrin receptor unc 5 0.0241033 0.227256 0.299088
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0298729 0.296229 0.298521
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0086874 0.0429671 0.0408389
Schistosoma mansoni tumor necrosis factor receptor related 0.0309932 0.309621 0.414508
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0203395 0.182261 0.236036
Trichomonas vaginalis tubulin gamma chain, putative 0.0334481 0.338969 0.36805
Schistosoma mansoni alpha tubulin 0.0443957 0.469841 0.63903
Leishmania major beta tubulin 0.0659435 0.727433 1
Brugia malayi beta-tubulin, identical 0.0659435 0.727433 1
Echinococcus multilocularis tubulin alpha chain 0.0443957 0.469841 0.63903
Loa Loa (eye worm) hypothetical protein 0.0298729 0.296229 0.407225
Leishmania major ATP-binding cassette protein subfamily G, member 6, putative 0.0104555 0.0641042 0.0704589
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0239042 0.224876 0.295753
Leishmania major epsilon tubulin, putative 0.0334481 0.338969 0.455634
Onchocerca volvulus 0.0189254 0.165357 0.23915
Trypanosoma cruzi zeta tubulin, putative 0.0145228 0.112726 0.138594
Echinococcus granulosus Tubulin alpha 1 chain 0.0443957 0.469841 0.63903
Trypanosoma cruzi tubulin gamma chain 0.0334481 0.338969 0.455634
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0592531 0.647453 0.695176
Chlamydia trachomatis protoporphyrinogen oxidase 0.00624957 0.0138241 0.5
Loa Loa (eye worm) tubulin alpha-3 chain 0.0254704 0.243599 0.334874
Loa Loa (eye worm) tubulin beta-1 chain 0.0659435 0.727433 1
Echinococcus granulosus Tubulin beta 2C chain 0.0659435 0.727433 1
Trypanosoma brucei alpha tubulin, putative 0.0189254 0.165357 0.152643
Trichomonas vaginalis tubulin alpha chain, putative 0.0189254 0.165357 0.0856188
Trypanosoma cruzi ABC transporter, putative 0.0104555 0.0641042 0.0704589
Schistosoma mansoni tubulin subunit beta 0.0659435 0.727433 1
Trichomonas vaginalis tubulin beta chain, putative 0.0443957 0.469841 0.580952
Loa Loa (eye worm) tubulin beta chain 0.0145228 0.112726 0.154964
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0887439 1 1
Loa Loa (eye worm) hypothetical protein 0.0254704 0.243599 0.334874
Plasmodium vivax tubulin alpha chain, putative 0.0443957 0.469841 0.63903
Trichomonas vaginalis tubulin, putative 0.0659435 0.727433 1
Trypanosoma brucei alpha tubulin 0.0443957 0.469841 0.611668
Echinococcus multilocularis tubulin alpha 3 chain 0.0443957 0.469841 0.63903
Echinococcus multilocularis tubulin epsilon chain 0.0334481 0.338969 0.455634
Entamoeba histolytica tubulin gamma chain 0.0334481 0.338969 0.414371
Leishmania major beta tubulin 0.0659435 0.727433 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0659435 0.727433 1
Loa Loa (eye worm) tubulin alpha 2 0.0298729 0.296229 0.407225
Loa Loa (eye worm) fructose-bisphosphate aldolase 2 0.0203395 0.182261 0.250554
Toxoplasma gondii cell-cycle-associated protein kinase, putative 0.015955 0.129847 0.162587
Giardia lamblia Alpha-tubulin 0.0443957 0.469841 0.611948
Toxoplasma gondii beta-tubulin, putative 0.0659435 0.727433 1
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0203395 0.182261 0.236036
Loa Loa (eye worm) tubulin alpha chain 0.0443957 0.469841 0.645889
Echinococcus granulosus tubulin alpha 1C chain 0.0443957 0.469841 0.63903
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0241033 0.227256 0.299088
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0203395 0.182261 0.236036
Echinococcus multilocularis peroxisome assembly protein 26 0.0443957 0.469841 0.63903
Echinococcus multilocularis hypothetical protein 0.0443957 0.469841 0.63903
Brugia malayi Immunoglobulin I-set domain containing protein 0.0241033 0.227256 0.299088
Plasmodium falciparum ABC transporter G family member 2 0.0104555 0.0641042 0.0704589
Echinococcus multilocularis tubulin gamma 1 chain 0.0334481 0.338969 0.455634
Plasmodium falciparum alpha tubulin 2 0.0443957 0.469841 0.63903
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0592531 0.647453 0.642511
Echinococcus granulosus tubulin alpha 3 chain 0.0443957 0.469841 0.63903
Echinococcus multilocularis tubulin alpha 1C chain 0.0443957 0.469841 0.63903
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0592531 0.647453 0.86989
Giardia lamblia Beta tubulin 0.0659435 0.727433 1
Loa Loa (eye worm) ABC transporter 0.00890719 0.0455945 0.0626787
Echinococcus multilocularis ATP binding cassette sub family G 0.0104555 0.0641042 0.0704589
Echinococcus granulosus beta tubulin 0.0659435 0.727433 1
Loa Loa (eye worm) BEN-1 protein 0.0659435 0.727433 1
Trypanosoma brucei beta tubulin 0.0659435 0.727433 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0254704 0.243599 0.212902
Echinococcus granulosus tubulin alpha chain 0.0443957 0.469841 0.63903
Trypanosoma brucei epsilon tubulin 0.0334481 0.338969 0.414371
Mycobacterium tuberculosis Probable conserved transmembrane ATP-binding protein ABC transporter 0.00886721 0.0451167 0.0343321
Leishmania major beta tubulin 0.0659435 0.727433 1
Echinococcus granulosus tubulin alpha chain 0.0443957 0.469841 0.63903
Trypanosoma cruzi tubulin delta chain 0.0145228 0.112726 0.138594
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0592531 0.647453 0.86989
Echinococcus granulosus Ankyrin 0.0241033 0.227256 0.299088
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0104555 0.0641042 0.0509849
Schistosoma mansoni tubulin subunit epsilon 0.0334481 0.338969 0.455634
Brugia malayi Protein kinase domain containing protein 0.0241365 0.227653 0.299645
Giardia lamblia Epsilon tubulin 0.0145228 0.112726 0.0739668
Schistosoma mansoni netrin receptor unc5 0.0241033 0.227256 0.299088
Leishmania major zeta tubulin, putative 0.0145228 0.112726 0.138594
Echinococcus multilocularis Tubulin beta 2C chain 0.0659435 0.727433 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0659435 0.727433 1
Trichomonas vaginalis tubulin, putative 0.0189254 0.165357 0.0856188
Leishmania major beta tubulin 0.0659435 0.727433 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0189254 0.165357 0.0856188
Mycobacterium tuberculosis Cell division protein FtsZ 0.0145228 0.112726 0.108509
Trypanosoma brucei epsilon tubulin 0.0334481 0.338969 0.414371
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0824943 0.92529 1
Loa Loa (eye worm) hypothetical protein 0.00624957 0.0138241 0.019004
Echinococcus multilocularis Tubulin beta 2C chain 0.0659435 0.727433 1
Plasmodium falciparum MO15-related protein kinase 0.0171576 0.144224 0.182734
Loa Loa (eye worm) BEN-1 protein 0.0659435 0.727433 1
Trypanosoma brucei beta tubulin 0.0659435 0.727433 1
Plasmodium vivax tubulin epsilon chain, putative 0.0334481 0.338969 0.455634
Plasmodium vivax fructose 1,6-bisphosphate aldolase, putative 0.0203395 0.182261 0.236036
Leishmania major beta tubulin 0.0659435 0.727433 1
Echinococcus granulosus tubulin alpha 1C chain 0.0443957 0.469841 0.63903
Trypanosoma brucei alpha tubulin 0.0443957 0.469841 0.611668
Trichomonas vaginalis tubulin alpha chain, putative 0.0659435 0.727433 1
Trypanosoma brucei fructose-bisphosphate aldolase, glycosomal, putative 0.0203395 0.182261 0.178127
Echinococcus granulosus peroxisome assembly protein 26 0.0443957 0.469841 0.63903
Trichomonas vaginalis tubulin beta chain, putative 0.0443957 0.469841 0.580952
Loa Loa (eye worm) tubulin alpha 2 0.0109476 0.0699864 0.0962101
Schistosoma mansoni tubulin subunit beta 0.0659435 0.727433 1
Echinococcus granulosus tubulin alpha chain 0.0443957 0.469841 0.63903
Echinococcus multilocularis tubulin alpha 3 chain 0.0443957 0.469841 0.63903
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0443957 0.469841 0.580952
Loa Loa (eye worm) hypothetical protein 0.00624957 0.0138241 0.019004
Leishmania major beta tubulin 0.0659435 0.727433 1
Brugia malayi Cell division protein ftsZ 0.0145228 0.112726 0.138594
Toxoplasma gondii alpha-tubulin I, putative 0.0443957 0.469841 0.63903
Leishmania major ATP-binding cassette protein subfamily G, member 4, putative 0.0104555 0.0641042 0.0704589
Loa Loa (eye worm) hypothetical protein 0.0188424 0.164365 0.225952
Leishmania major beta tubulin 0.0659435 0.727433 1
Trypanosoma brucei zeta tubulin, putative 0.0145228 0.112726 0.0732997
Brugia malayi fructose-bisphosphate aldolase 2 0.0203395 0.182261 0.236036
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0887439 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0659435 0.727433 1
Echinococcus multilocularis tubulin alpha 0.0334481 0.338969 0.455634
Echinococcus granulosus tubulin gamma 1 chain 0.0334481 0.338969 0.455634
Leishmania major beta tubulin 0.0659435 0.727433 1
Loa Loa (eye worm) hypothetical protein 0.0241033 0.227256 0.312408
Echinococcus granulosus tubulin alpha chain 0.0443957 0.469841 0.63903
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0104555 0.0641042 0.0509849
Echinococcus granulosus Tubulin beta 2C chain 0.0659435 0.727433 1
Echinococcus granulosus death domain containing protein 0.0241033 0.227256 0.299088
Entamoeba histolytica tubulin family protein 0.0659435 0.727433 1
Trypanosoma brucei beta tubulin 0.0334481 0.338969 0.414371
Brugia malayi Uncoordinated protein 44 0.0241033 0.227256 0.299088
Trypanosoma cruzi tubulin delta chain 0.0145228 0.112726 0.138594
Leishmania major alpha tubulin 0.0443957 0.469841 0.63903
Brugia malayi Tubulin beta chain 0.0145228 0.112726 0.138594

Activities

Activity type Activity value Assay description Source Reference
Cytotoxicity (functional) = 0 % Cytotoxicity against MRC-5 cells at concentration 1 microM ChEMBL. 11356101
Cytotoxicity (functional) = 0 % Cytotoxicity against MRC-5 cells at concentration 0.5 microM ChEMBL. 11356101
Cytotoxicity (ADMET) 0 % In vitro cytotoxic activity against mouse peritonealmacrophages at a concentration 32 microM; Toxic ChEMBL. 11356101
Cytotoxicity (ADMET) 0 % In vitro cytotoxic activity against mouse peritonealmacrophages at a concentration 8 microM; Toxic ChEMBL. 11356101
Cytotoxicity (functional) 0 % In vitro cytotoxic activity against mouse peritoneal macrophages at a concentration 2 microM; Non-toxic ChEMBL. 11356101
Cytotoxicity (functional) = 0 % Cytotoxicity against MRC-5 cells at concentration 1 microM ChEMBL. 11356101
Cytotoxicity (functional) = 0 % Cytotoxicity against MRC-5 cells at concentration 0.5 microM ChEMBL. 11356101
Cytotoxicity (functional) = 92 % Cytotoxicity against MRC-5 cells at concentration 32 microM ChEMBL. 11356101
Cytotoxicity (functional) = 92 % Cytotoxicity against MRC-5 cells at concentration 8 microM ChEMBL. 11356101
Cytotoxicity (functional) = 92 % Cytotoxicity against MRC-5 cells at concentration 32 microM ChEMBL. 11356101
Cytotoxicity (functional) = 92 % Cytotoxicity against MRC-5 cells at concentration 8 microM ChEMBL. 11356101
IC50 (functional) = 132.2 nM In vitro growth inhibition of P. falciparum FcB1R strain. ChEMBL. 11356101
IC50 (functional) = 132.2 nM In vitro growth inhibition of P. falciparum FcB1R strain. ChEMBL. 11356101

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 11356101

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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