TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 904.069 | Formula: C44H65N13O8
H donors: 12 H acceptors: 8 LogP: -0.14 Rotable bonds: 36
Rule of 5 violations (Lipinski): 3
SMILES: NCCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N)Cc1c[nH]c2c1cccc2)CCCN=C(N)N)Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)C)CCCC
InChi: 1S/C44H65N13O8/c1-3-4-16-32(53-27(2)58)39(61)52-26-38(60)54-33(18-10-11-20-45)41(63)56-35(22-28-13-6-5-7-14-28)43(65)55-34(19-12-21-49-44(47)48)42(64)57-36(40(62)51-25-37(46)59)23-29-24-50-31-17-9-8-15-30(29)31/h5-9,13-15,17,24,32-36,50H,3-4,10-12,16,18-23,25-26,45H2,1-2H3,(H2,46,59)(H,51,62)(H,52,61)(H,53,58)(H,54,60)(H,55,65)(H,56,63)(H,57,64)(H4,47,48,49)/t32-,33-,34-,35+,36-/m0/s1
InChiKey: WOSXQRHNBLCZBB-XLIVJYPCSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	melanocortin 4 receptor	Starlite/ChEMBL	References
Homo sapiens	melanocortin 3 receptor	Starlite/ChEMBL	References
Mus musculus	melanocortin 5 receptor	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	hypothetical protein	melanocortin 5 receptor	372 aa	314 aa	21.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	tubulin alpha chain, putative	0.0826	0.5168	0.6658
Schistosoma mansoni	tubulin subunit delta	0.0268	0.1441	0.185
Plasmodium vivax	tubulin beta chain, putative	0.1205	0.77	1
Leishmania major	beta tubulin	0.1205	0.77	1
Treponema pallidum	cell division protein FtsZ	0.0268	0.1441	0.5
Echinococcus multilocularis	peroxisome assembly protein 26	0.0826	0.5168	0.6703
Loa Loa (eye worm)	hypothetical protein	0.0826	0.5168	0.5159
Loa Loa (eye worm)	hypothetical protein	0.0151	0.0657	0.0638
Brugia malayi	Cell division protein ftsZ	0.0268	0.1441	0.1423
Leishmania major	alpha tubulin	0.0826	0.5168	0.6658
Entamoeba histolytica	tubulin family protein	0.1205	0.77	1
Plasmodium falciparum	tubulin epsilon chain, putative	0.0618	0.3774	0.3728
Plasmodium vivax	tubulin alpha chain, putative	0.0826	0.5168	0.5955
Trypanosoma cruzi	tubulin delta chain	0.0268	0.1441	0.1848
Brugia malayi	Tubulin alpha-2 chain	0.0826	0.5168	0.5159
Trichomonas vaginalis	tubulin alpha chain, putative	0.0349	0.1983	0.0867
Leishmania major	beta tubulin	0.1205	0.77	1
Trypanosoma brucei	zeta tubulin, putative	0.0268	0.1441	0.1737
Loa Loa (eye worm)	tubulin alpha 2	0.0558	0.3378	0.3364
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0826	0.5168	0.5955
Brugia malayi	Tubulin alpha-2 chain	0.0826	0.5168	0.5159
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0071	0.0124	0.0104
Leishmania major	beta tubulin	0.1205	0.77	1
Schistosoma mansoni	alpha tubulin	0.0826	0.5168	0.6703
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0826	0.5168	0.5955
Schistosoma mansoni	tubulin subunit alpha	0.0268	0.1441	0.185
Echinococcus multilocularis	Immunoglobulin	0.0095	0.0287	0.0347
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0826	0.5168	0.5955
Echinococcus multilocularis	Tubulin beta 2C chain	0.1205	0.77	1
Schistosoma mansoni	tubulin subunit alpha	0.0826	0.5168	0.6703
Brugia malayi	Tubulin beta chain	0.0268	0.1441	0.1423
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0071	0.0124	0.0133
Leishmania major	beta tubulin	0.1205	0.77	1
Toxoplasma gondii	beta-1 tubulin, putative	0.1205	0.77	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0287	0.0267
Loa Loa (eye worm)	BEN-1 protein	0.1205	0.77	0.7696
Brugia malayi	Tubulin gamma chain	0.0618	0.3774	0.3762
Echinococcus granulosus	twitchin	0.012	0.0449	0.0559
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0154	0.0677	0.0854
Echinococcus multilocularis	beta tubulin	0.1205	0.77	1
Leishmania major	alpha tubulin	0.0826	0.5168	0.6658
Trichomonas vaginalis	tubulin beta chain, putative	0.0826	0.5168	0.5955
Trichomonas vaginalis	tubulin epsilon chain, putative	0.1205	0.77	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.1205	0.77	0.7696
Schistosoma mansoni	tubulin subunit beta	0.1205	0.77	1
Trypanosoma brucei	alpha tubulin	0.0826	0.5168	0.6658
Brugia malayi	Tubulin beta-1 chain	0.1205	0.77	0.7696
Onchocerca volvulus		0.0477	0.2834	0.3027
Trypanosoma brucei	alpha tubulin, putative	0.0349	0.1983	0.2454
Schistosoma mansoni	tyrosine kinase	0.0064	0.0078	0.0075
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0325	0.1821	0.2343
Echinococcus multilocularis	tubulin epsilon chain	0.0618	0.3774	0.4888
Leishmania major	epsilon tubulin, putative	0.0618	0.3774	0.4818
Schistosoma mansoni	tubulin subunit beta	0.1205	0.77	1
Schistosoma mansoni	hypothetical protein	0.0182	0.0868	0.1104
Loa Loa (eye worm)	tubulin gamma chain	0.0618	0.3774	0.3762
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0154	0.0677	0.073
Echinococcus granulosus	muscleblind protein	0.0161	0.0724	0.0916
Schistosoma mansoni	alpha tubulin	0.0826	0.5168	0.6703
Echinococcus multilocularis	Protein lozenge	0.006	0.0049	0.0038
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0826	0.5168	0.6703
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0268	0.1441	0.5
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0325	0.1821	0.2343
Trypanosoma brucei	beta tubulin	0.1205	0.77	1
Giardia lamblia	Beta tubulin	0.1205	0.77	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0558	0.3378	0.3094
Trypanosoma brucei	tubulin delta chain	0.0268	0.1441	0.1737
Echinococcus multilocularis	tubulin subunit TubB	0.0826	0.5168	0.6703
Leishmania major	beta tubulin	0.1205	0.77	1
Leishmania major	beta tubulin	0.1205	0.77	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0618	0.3774	0.4887
Echinococcus multilocularis	tubulin alpha chain	0.0826	0.5168	0.6703
Echinococcus granulosus	tubulin alpha 1C chain	0.0826	0.5168	0.6703
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0095	0.0287	0.0267
Echinococcus multilocularis	tubulin alpha 1C chain	0.0826	0.5168	0.6703
Loa Loa (eye worm)	tubulin alpha 2	0.0209	0.1044	0.1026
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0095	0.0287	0.0347
Schistosoma mansoni	tubulin subunit alpha	0.0826	0.5168	0.6703
Echinococcus multilocularis	tubulin alpha 3 chain	0.0826	0.5168	0.6703
Brugia malayi	Tubulin beta chain	0.0349	0.1983	0.1967
Trichomonas vaginalis	tubulin beta chain, putative	0.0826	0.5168	0.5955
Brugia malayi	tubulin alpha chain - mouse	0.0826	0.5168	0.5159
Trichomonas vaginalis	glutaminase, putative	0.0294	0.1615	0.0279
Trichomonas vaginalis	tubulin beta chain, putative	0.0826	0.5168	0.5955
Trypanosoma brucei	epsilon tubulin	0.0618	0.3774	0.4818
Echinococcus multilocularis	Immunoglobulin	0.0095	0.0287	0.0347
Leishmania major	alpha tubulin	0.0826	0.5168	0.6658
Echinococcus granulosus	Immunoglobulin	0.0095	0.0287	0.0347
Echinococcus granulosus	tubulin epsilon chain	0.0618	0.3774	0.4888
Echinococcus granulosus	tubulin alpha chain	0.0826	0.5168	0.6703
Trichomonas vaginalis	tubulin, putative	0.1205	0.77	1
Plasmodium falciparum	alpha tubulin 2	0.0826	0.5168	0.5955
Schistosoma mansoni	alpha tubulin	0.0826	0.5168	0.6703
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0477	0.2835	0.282
Loa Loa (eye worm)	hypothetical protein	0.0151	0.0657	0.0638
Loa Loa (eye worm)	hypothetical protein	0.0126	0.0494	0.0475
Trichomonas vaginalis	tubulin alpha chain, putative	0.1205	0.77	1
Toxoplasma gondii	beta-tubulin, putative	0.1205	0.77	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0826	0.5168	0.6703
Echinococcus multilocularis	Tubulin beta 2C chain	0.1205	0.77	1
Leishmania major	zeta tubulin, putative	0.0268	0.1441	0.1737
Echinococcus multilocularis	beta tubulin	0.1205	0.77	1
Echinococcus granulosus	Tubulin beta 2C chain	0.1205	0.77	1
Loa Loa (eye worm)	tubulin beta chain	0.0268	0.1441	0.1423
Mycobacterium leprae	cell division protein FtsZ	0.0268	0.1441	0.5
Entamoeba histolytica	tubulin family protein	0.1205	0.77	1
Trypanosoma brucei	beta tubulin	0.1205	0.77	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0071	0.0124	0.0133
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0071	0.0124	0.0136
Loa Loa (eye worm)	BEN-1 protein	0.1205	0.77	0.7696
Entamoeba histolytica	tubulin alpha-1 chain	0.0826	0.5168	0.6658
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0287	0.0267
Trichomonas vaginalis	tubulin beta chain, putative	0.0826	0.5168	0.5955
Loa Loa (eye worm)	hypothetical protein	0.0477	0.2834	0.282
Echinococcus granulosus	Tubulin beta 2C chain	0.1205	0.77	1
Plasmodium vivax	tubulin alpha chain, putative	0.0826	0.5168	0.5955
Loa Loa (eye worm)	hypothetical protein	0.0163	0.0736	0.0718
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0126	0.0494	0.0618
Trypanosoma brucei	alpha tubulin	0.0826	0.5168	0.6658
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0268	0.1441	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0349	0.1983	0.0867
Loa Loa (eye worm)	runx1	0.006	0.0049	0.0029
Mycobacterium ulcerans	cell division protein FtsZ	0.0268	0.1441	0.7876
Brugia malayi	beta-tubulin, identical	0.1205	0.77	0.7696
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0268	0.1441	0.1871
Loa Loa (eye worm)	beta-tubulin	0.1205	0.77	0.7696
Schistosoma mansoni	lozenge	0.006	0.0049	0.0038
Echinococcus multilocularis	tubulin alpha chain	0.0826	0.5168	0.6703
Schistosoma mansoni	tubulin subunit beta	0.1205	0.77	1
Leishmania major	beta tubulin	0.1205	0.77	1
Plasmodium vivax	tubulin epsilon chain, putative	0.0618	0.3774	0.3728
Leishmania major	alpha tubulin	0.0826	0.5168	0.6658
Brugia malayi	hypothetical protein	0.0477	0.2834	0.282
Loa Loa (eye worm)	glutaminase	0.0294	0.1615	0.1598
Leishmania major	beta tubulin	0.1205	0.77	1
Onchocerca volvulus	Tyrosine kinase homolog	0.1448	0.9318	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0349	0.1983	0.0867
Echinococcus granulosus	tubulin alpha chain	0.0826	0.5168	0.6703
Echinococcus granulosus	tubulin delta chain	0.0268	0.1441	0.185
Echinococcus multilocularis	geminin	0.0182	0.0868	0.1104
Echinococcus granulosus	tubulin alpha chain	0.0826	0.5168	0.6703
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.155	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0477	0.2835	0.2227
Leishmania major	beta tubulin	0.1205	0.77	1
Trypanosoma cruzi	tubulin delta chain	0.0268	0.1441	0.1848
Trichomonas vaginalis	tubulin beta chain, putative	0.0826	0.5168	0.5955
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0618	0.3774	0.4901
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0287	0.0267
Brugia malayi	tubulin alpha-2 chain	0.0826	0.5168	0.5159
Brugia malayi	Tubulin alpha chain	0.0826	0.5168	0.5159
Echinococcus granulosus	defective proboscis extension response	0.0095	0.0287	0.0347
Brugia malayi	Tubulin alpha chain	0.0268	0.1441	0.1423
Schistosoma mansoni	tubulin subunit beta	0.0268	0.1441	0.185
Trichomonas vaginalis	tubulin beta chain, putative	0.0349	0.1983	0.0867
Schistosoma mansoni	vesicular amine transporter	0.0095	0.0287	0.0347
Echinococcus granulosus	tubulin alpha chain	0.0826	0.5168	0.6703
Loa Loa (eye worm)	alpha-tubulin	0.0826	0.5168	0.5159
Echinococcus granulosus	tubulin subunit beta	0.1205	0.77	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0826	0.5168	0.6712
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0287	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0558	0.3378	0.3364
Leishmania major	beta tubulin	0.1205	0.77	1
Brugia malayi	alpha-tubulin	0.0826	0.5168	0.5159
Brugia malayi	hypothetical protein	0.0095	0.0287	0.0267
Leishmania major	beta tubulin	0.1205	0.77	1
Leishmania major	beta tubulin	0.1205	0.77	1
Loa Loa (eye worm)	alpha-tubulin	0.0826	0.5168	0.5159
Schistosoma mansoni	hypothetical protein	0.0182	0.0868	0.1104
Trypanosoma cruzi	tubulin gamma chain	0.0618	0.3774	0.4887
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0071	0.0124	0.0136
Trichomonas vaginalis	tubulin beta chain, putative	0.0826	0.5168	0.5955
Echinococcus granulosus	tubulin beta 4A class IVa	0.1205	0.77	1
Echinococcus granulosus	tubulin alpha	0.0618	0.3774	0.4888
Brugia malayi	glutaminase DH11.1	0.0294	0.1615	0.1598
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0154	0.0677	0.073
Echinococcus multilocularis	tubulin gamma 1 chain	0.0618	0.3774	0.4888
Onchocerca volvulus		0.0163	0.0736	0.077
Echinococcus granulosus	tubulin gamma 1 chain	0.0618	0.3774	0.4888
Echinococcus granulosus	Tubulin beta 2C chain	0.1205	0.77	1
Echinococcus granulosus	alpha tubulin	0.0826	0.5168	0.6703
Trypanosoma brucei	beta tubulin	0.1205	0.77	1
Trypanosoma brucei	tubulin gamma chain	0.0618	0.3774	0.4818
Trichomonas vaginalis	tubulin gamma chain, putative	0.0618	0.3774	0.3728
Onchocerca volvulus		0.1415	0.9098	0.9763
Leishmania major	alpha tubulin	0.0826	0.5168	0.6658
Plasmodium falciparum	tubulin gamma chain	0.0618	0.3774	0.3728
Plasmodium vivax	tubulin gamma chain, putative	0.0618	0.3774	0.3728
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0287	0.0267
Trichomonas vaginalis	tubulin alpha chain, putative	0.0618	0.3774	0.3728
Schistosoma mansoni	tubulin subunit gamma	0.0618	0.3774	0.4888
Schistosoma mansoni	tubulin subunit epsilon	0.0618	0.3774	0.4888
Giardia lamblia	Alpha-tubulin	0.0826	0.5168	0.5955
Schistosoma mansoni	nephrin	0.012	0.0449	0.0559
Echinococcus granulosus	roundabout 2	0.0151	0.0657	0.0829
Echinococcus multilocularis	tubulin alpha chain	0.0826	0.5168	0.6703
Leishmania major	beta tubulin	0.1205	0.77	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0826	0.5168	0.6703
Echinococcus granulosus	tubulin beta 1 chain	0.1205	0.77	1
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0071	0.0124	0.0104
Loa Loa (eye worm)	tubulin alpha chain	0.0826	0.5168	0.5159
Echinococcus multilocularis	tubulin alpha chain	0.0826	0.5168	0.6703
Echinococcus granulosus	Tubulin beta 2C chain	0.1205	0.77	1
Echinococcus multilocularis	hypothetical protein	0.0826	0.5168	0.6703
Schistosoma mansoni	tubulin subunit beta	0.1205	0.77	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0826	0.5168	0.5159
Mycobacterium ulcerans	glutaminase	0.0294	0.1615	1
Leishmania major	delta tubulin, putative	0.0268	0.1441	0.1737
Echinococcus granulosus	tubulin alpha chain	0.0826	0.5168	0.6703
Echinococcus multilocularis	neuroglian	0.012	0.0449	0.0559
Plasmodium falciparum	alpha tubulin 1	0.0826	0.5168	0.5955
Leishmania major	alpha tubulin	0.0826	0.5168	0.6658
Loa Loa (eye worm)	hypothetical protein	0.0161	0.0724	0.0705
Echinococcus granulosus	Tubulin alpha 1 chain	0.0826	0.5168	0.6703
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0826	0.5168	0.6703
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0826	0.5168	0.6703
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0095	0.0287	0.0347
Trypanosoma cruzi	beta tubulin, putative	0.1205	0.77	1
Leishmania major	gamma-tubulin	0.0618	0.3774	0.4818
Schistosoma mansoni	glutaminase	0.0294	0.1615	0.2077
Leishmania major	beta tubulin	0.1205	0.77	1
Trichomonas vaginalis	tubulin beta chain, putative	0.1205	0.77	1
Leishmania major	alpha tubulin	0.0826	0.5168	0.6658
Loa Loa (eye worm)	tubulin alpha 2	0.0558	0.3378	0.3364
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.1205	0.77	1
Loa Loa (eye worm)	hypothetical protein	0.0477	0.2834	0.282
Leishmania major	alpha tubulin	0.0826	0.5168	0.6658
Loa Loa (eye worm)	tubulin beta chain	0.1205	0.77	0.7696
Trypanosoma brucei	zeta tubulin	0.0268	0.1441	0.1737
Trypanosoma brucei	alpha tubulin	0.0826	0.5168	0.6658
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0558	0.3378	0.3364
Echinococcus multilocularis	Tubulin beta 2C chain	0.1205	0.77	1
Schistosoma mansoni	tubulin subunit beta	0.1205	0.77	1
Giardia lamblia	Beta tubulin	0.1205	0.77	1
Trypanosoma brucei	alpha tubulin	0.0826	0.5168	0.6658
Echinococcus multilocularis	tubulin alpha 3 chain	0.0826	0.5168	0.6703
Schistosoma mansoni	tubulin subunit alpha	0.0826	0.5168	0.6703
Loa Loa (eye worm)	hypothetical protein	0.0477	0.2835	0.282
Echinococcus granulosus	geminin	0.0182	0.0868	0.1104
Leishmania major	alpha tubulin	0.0826	0.5168	0.6658
Echinococcus granulosus	Tubulin beta 2C chain	0.1205	0.77	1
Trypanosoma cruzi	zeta tubulin, putative	0.0268	0.1441	0.1848
Echinococcus multilocularis	tubulin alpha 1C chain	0.0826	0.5168	0.6703
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0071	0.0124	0.0136
Echinococcus granulosus	beta tubulin	0.1205	0.77	1
Loa Loa (eye worm)	glutaminase 2	0.0294	0.1615	0.1598
Trichomonas vaginalis	tubulin gamma chain, putative	0.0618	0.3774	0.3728
Brugia malayi	Fibronectin type III domain containing protein	0.0095	0.0287	0.0267
Brugia malayi	hypothetical protein	0.0163	0.0736	0.0718
Plasmodium falciparum	tubulin beta chain	0.1205	0.77	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0618	0.3774	0.4887
Trypanosoma brucei	epsilon tubulin	0.0618	0.3774	0.4818
Toxoplasma gondii	alpha-tubulin I, putative	0.0826	0.5168	0.6712
Echinococcus multilocularis	Tubulin beta 2C chain	0.1205	0.77	1
Echinococcus multilocularis	muscleblind protein	0.0161	0.0724	0.0916
Giardia lamblia	Alpha-tubulin	0.0826	0.5168	0.5955
Schistosoma mansoni	tubulin subunit beta	0.1205	0.77	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0287	0.0267
Echinococcus multilocularis	tubulin beta 1 chain	0.1205	0.77	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0325	0.1821	0.224
Echinococcus multilocularis	tubulin subunit beta	0.1205	0.77	1
Echinococcus multilocularis	tubulin delta chain	0.0268	0.1441	0.185
Echinococcus granulosus	tubulin subunit TubB	0.0826	0.5168	0.6703
Brugia malayi	Muscleblind-like protein	0.0161	0.0724	0.0705
Echinococcus granulosus	tubulin alpha 1C chain	0.0826	0.5168	0.6703
Loa Loa (eye worm)	tubulin alpha chain	0.0826	0.5168	0.5159
Loa Loa (eye worm)	hypothetical protein	0.0161	0.0724	0.0705
Toxoplasma gondii	beta tubulin	0.1205	0.77	1
Leishmania major	beta tubulin	0.1205	0.77	1
Trypanosoma brucei	beta tubulin	0.1205	0.77	1
Trichomonas vaginalis	tubulin, putative	0.0349	0.1983	0.0867
Echinococcus multilocularis	tubulin alpha	0.0618	0.3774	0.4888
Leishmania major	beta tubulin	0.1205	0.77	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.1205	0.77	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0826	0.5168	0.6703
Trypanosoma cruzi	zeta tubulin, putative	0.0268	0.1441	0.1848
Trypanosoma cruzi	alpha tubulin, putative	0.0826	0.5168	0.6702
Leishmania major	mitochondrial DNA polymerase beta	0.0325	0.1821	0.224
Leishmania major	beta tubulin	0.1205	0.77	1
Echinococcus multilocularis	muscleblind protein 1	0.0161	0.0724	0.0916
Echinococcus granulosus	peroxisome assembly protein 26	0.0826	0.5168	0.6703
Echinococcus granulosus	beta tubulin	0.1205	0.77	1
Onchocerca volvulus		0.0349	0.1983	0.2112
Entamoeba histolytica	tubulin gamma chain	0.0618	0.3774	0.4818
Schistosoma mansoni	cell adhesion molecule	0.0126	0.0494	0.0618
Giardia lamblia	Beta tubulin	0.1205	0.77	1
Trichomonas vaginalis	tubulin, putative	0.0349	0.1983	0.0867
Trypanosoma brucei	beta tubulin	0.0618	0.3774	0.4818
Echinococcus multilocularis	tubulin alpha chain	0.0826	0.5168	0.6703
Echinococcus granulosus	neuroglian	0.012	0.0449	0.0559
Leishmania major	alpha tubulin	0.0826	0.5168	0.6658
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0268	0.1441	0.1871
Trypanosoma brucei	epsilon tubulin	0.0618	0.3774	0.4818
Echinococcus granulosus	Tubulin alpha 1 chain	0.0826	0.5168	0.6703
Loa Loa (eye worm)	tubulin beta-2A chain	0.1205	0.77	0.7696
Leishmania major	alpha tubulin	0.0826	0.5168	0.6658
Trichomonas vaginalis	tubulin alpha chain, putative	0.0349	0.1983	0.0867
Leishmania major	beta tubulin	0.1205	0.77	1
Leishmania major	alpha tubulin	0.0826	0.5168	0.6658
Giardia lamblia	Gamma tubulin	0.0618	0.3774	0.3728
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0095	0.0287	0.0347
Echinococcus multilocularis	roundabout 2	0.0151	0.0657	0.0829
Echinococcus multilocularis	Tubulin beta 2C chain	0.1205	0.77	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.1205	0.77	0.7696
Trichomonas vaginalis	tubulin epsilon chain, putative	0.1205	0.77	1

Activities

Activity type	Activity value	Assay description	Source	Reference
-Log EC50 (binding)	= 7.5 M	Effective concentration against mouse melanocortin receptor-5 expressed in 293 HEK cells	ChEMBL.	15974575
-Log EC50 (binding)	= 8.1 M	Effective concentration against human melanocortin receptor-3 expressed in 293 HEK cells	ChEMBL.	15974575
-Log EC50 (binding)	= 9.3 M	Effective concentration against human melanocortin receptor-4 expressed in 293 HEK cells	ChEMBL.	15974575
-Log IC50 (binding)	= 6.7 M	Displacement of [125I]-NDP-MSH from human melanocortin receptor-3 expressed in 293 HEK cells	ChEMBL.	15974575
-Log IC50 (binding)	= 8.6 M	Displacement of [125I]-NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells	ChEMBL.	15974575
EC50 (binding)	= 7.5	Effective concentration against mouse melanocortin receptor-5 expressed in 293 HEK cells	ChEMBL.	15974575
EC50 (binding)	= 8.1	Effective concentration against human melanocortin receptor-3 expressed in 293 HEK cells	ChEMBL.	15974575
EC50 (binding)	= 9.3	Effective concentration against human melanocortin receptor-4 expressed in 293 HEK cells	ChEMBL.	15974575
IC50 (binding)	= 6.7	Displacement of [125I]-NDP-MSH from human melanocortin receptor-3 expressed in 293 HEK cells	ChEMBL.	15974575
IC50 (binding)	= 8.6	Displacement of [125I]-NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells	ChEMBL.	15974575

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL365913

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 330553