TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 1048.2 | Formula: C51H69N17O8
H donors: 12 H acceptors: 11 LogP: 0.85 Rotable bonds: 20
Rule of 5 violations (Lipinski): 4
SMILES: CCCC[C@@H](C(=O)N[C@H]1CCCCn2nnc(c2)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)C
InChi: 1S/C51H69N17O8/c1-3-4-16-37(59-30(2)69)45(71)60-38-18-10-11-21-68-28-34(66-67-68)25-40(44(52)70)62-49(75)42(23-32-26-57-36-17-9-8-15-35(32)36)64-47(73)39(19-12-20-56-51(53)54)61-48(74)41(22-31-13-6-5-7-14-31)63-50(76)43(65-46(38)72)24-33-27-55-29-58-33/h5-9,13-15,17,26-29,37-43,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,71)(H,61,74)(H,62,75)(H,63,76)(H,64,73)(H,65,72)(H4,53,54,56)/t37-,38-,39-,40-,41+,42-,43-/m0/s1
InChiKey: PIOLFYWBAQKAOU-PMHRFVFWSA-N

Network

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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

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	melanocortin 3 receptor	Starlite/ChEMBL	References
Mus musculus	melanocortin 5 receptor	Starlite/ChEMBL	References
Mus musculus	melanocortin 1 receptor	Starlite/ChEMBL	References
Mus musculus	melanocortin 4 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
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0044	0.0019	0.0297
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0056	0.0054	0.0057
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.3133	0.9068	1
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0044	0.0019	0.0019
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0049	0.0034	0.0032
Entamoeba histolytica	hypothetical protein	0.0187	0.0439	0.0465
Brugia malayi	AMP-binding enzyme family protein	0.0044	0.0019	0.0147
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0002	0.0012
Schistosoma mansoni	hypothetical protein	0.0041	0.0009	0.0009
Schistosoma mansoni	hypothetical protein	0.0359	0.0943	0.1038
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0149	0.0327	1
Brugia malayi	hypothetical protein	0.0187	0.0439	0.3447
Schistosoma mansoni	hypothetical protein	0.3133	0.9068	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0111	0.0217	0.36
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0044	0.0019	0.0147
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0044	0.0019	0.0525
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0111	0.0217	0.6609
Onchocerca volvulus		0.0044	0.0019	0.0524
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0044	0.0019	0.0019
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0002	0.0013
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0044	0.0019	0.0297
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.015	0.0329	0.0328
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0187	0.0439	0.0438
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.015	0.0329	0.0361
Echinococcus granulosus	expressed conserved protein	0.0092	0.016	0.0175
Leishmania major	acetyl-CoA synthetase, putative	0.0044	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0152	0.1181
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0014	0.0096
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0002	0.0012
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0105	0.0199	0.3303
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0149	0.0327	1
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0049	0.0034	0.0036
Brugia malayi	MAP kinase sur-1	0.0056	0.0054	0.0421
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0019	0.0525
Entamoeba histolytica	hypothetical protein, conserved	0.3133	0.9068	1
Echinococcus granulosus	GA binding protein alpha chain	0.0071	0.01	0.0108
Leishmania major	acetyl-CoA synthetase, putative	0.0044	0.0019	0.0019
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF6, putative	0.3133	0.9068	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0071	0.0098	0.0768
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0149	0.0327	0.0341
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.0054	0.0057
Schistosoma mansoni	hypothetical protein	0.0041	0.0012	0.0011
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0002	0.0012
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.3133	0.9068	1
Giardia lamblia	Rrm3p helicase	0.3133	0.9068	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0149	0.0327	1
Onchocerca volvulus		0.0149	0.0328	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.015	0.0329	0.0328
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.015	0.0329	0.0361
Echinococcus granulosus	Niemann Pick C1 protein	0.014	0.0301	0.033
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0044	0.0019	0.0525
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0054	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0014	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0328	0.256
Echinococcus multilocularis	ATP dependent DNA helicase PIF1	0.3133	0.9068	0.9068
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0104	0.0194	0.1509
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0105	0.0199	0.3303
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0044	0.0019	0.0525
Brugia malayi	Ets-domain containing protein	0.0071	0.01	0.0785
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0034	0.0253
Echinococcus multilocularis	expressed conserved protein	0.0092	0.016	0.0159
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0044	0.0019	0.0297
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0044	0.0019	0.0297
Echinococcus multilocularis	protein dispatched 1	0.0048	0.0031	0.003
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0019	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0217	0.1688
Brugia malayi	beta-lactamase family protein	0.0038	0.0002	0.0013
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.015	0.0329	0.2582
Entamoeba histolytica	hypothetical protein	0.0187	0.0439	0.0465
Plasmodium falciparum	acyl-CoA synthetase	0.0111	0.0217	1
Trichomonas vaginalis	antibiotic synthetase, putative	0.0044	0.0019	0.0019
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0068	0.0066
Loa Loa (eye worm)	fli-1 protein	0.0217	0.0526	0.4121
Schistosoma mansoni	transcription factor LCR-F1	0.0187	0.0439	0.0483
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0002	0.0012
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0149	0.0327	1
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0044	0.0019	0.2582
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0019	0.0525
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0044	0.0019	0.0019
Leishmania major	4-coumarate:coa ligase-like protein	0.0149	0.0327	0.0359
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.0044	0.0019	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0217	0.1688
Brugia malayi	AMP-binding enzyme family protein	0.0149	0.0327	0.2564
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0068	0.2032
Onchocerca volvulus		0.0149	0.0327	0.998
Leishmania major	4-coumarate:coa ligase-like protein	0.0149	0.0327	0.0359
Trypanosoma brucei	DNA repair and recombination helicase protein PIF6	0.3133	0.9068	1
Brugia malayi	beta-lactamase family protein	0.0038	0.0002	0.0013
Brugia malayi	AMP-binding enzyme family protein	0.0044	0.0019	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0012	0.0079
Trichomonas vaginalis	antibiotic synthetase, putative	0.0044	0.0019	0.0019
Echinococcus multilocularis	Niemann Pick C1 protein	0.0098	0.0178	0.0176
Echinococcus granulosus	mitogen activated protein kinase	0.0056	0.0054	0.0057
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0044	0.0019	0.0525
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0044	0.0019	0.0134
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0149	0.0327	0.0341
Entamoeba histolytica	DNA repair and recombination protein, putative	0.3133	0.9068	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0002	0.0012
Echinococcus multilocularis	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0041	0.0012	0.001
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0014	0.0013
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0044	0.0019	0.0019
Brugia malayi	Fli-1 protein	0.0217	0.0526	0.4129
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.3133	0.9068	1
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0089	0.0152	0.0147
Brugia malayi	AMP-binding enzyme family protein	0.0044	0.0019	0.0147
Onchocerca volvulus		0.0044	0.0019	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0473	0.1275	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0002	0.0012
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.3133	0.9068	1
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0071	0.01	0.0773
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0149	0.0327	1
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0044	0.0019	0.0297
Entamoeba histolytica	acyl-coA synthetase, putative	0.0149	0.0327	0.0341
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0242	0.06	1
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0178	0.1384
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0045	0.0023	0.0023
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0068	0.0073
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0056	0.0054	0.0057
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0019	0.0525
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0068	1
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0041	0.0012	0.0092
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0044	0.0019	0.0525
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0044	0.0019	0.0525
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0111	0.0217	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0149	0.0327	0.2564
Echinococcus multilocularis	muscleblind protein	0.0473	0.1275	0.1273
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0042	0.0314
Trypanosoma brucei	DNA repair and recombination helicase protein PIF7	0.3133	0.9068	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0014	0.0013
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0054	0.0057
Toxoplasma gondii	mitochondrial inner membrane translocase subunit TIM17, putative	0.0041	0.0012	0.1529
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0089	0.0152	0.0147
Onchocerca volvulus		0.0044	0.0019	0.0524
Echinococcus granulosus	ATP dependent DNA helicase PIF1	0.3133	0.9068	1
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0044	0.0019	0.0019
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0105	0.0199	0.3303
Echinococcus multilocularis	mitogen activated protein kinase	0.0056	0.0054	0.0052
Toxoplasma gondii	propionate-CoA ligase	0.0044	0.0019	0.2582
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0149	0.0327	0.5441
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0327	0.2555
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.015	0.0329	0.0361
Echinococcus multilocularis	Niemann Pick C1 protein	0.014	0.0301	0.0299
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.015	0.0329	0.0361
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0044	0.0019	0.0297
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0068	0.0073
Echinococcus multilocularis	geminin	0.0359	0.0943	0.0941
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0044	0.0019	0.034
Loa Loa (eye worm)	glutamate receptor	0.004	0.0007	0.0042
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0068	0.2032
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0019	0.0525
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0068	0.2032
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0044	0.0019	0.0297
Schistosoma mansoni	hypothetical protein	0.0041	0.0009	0.0009
Trypanosoma brucei	protein kinase, putative	0.0056	0.0054	0.0057
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.015	0.0329	0.2572
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0044	0.0019	0.0525
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.0054	0.0057
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0014	0.0012
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0041	0.0012	0.0092
Onchocerca volvulus		0.0044	0.0019	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0217	0.1688
Echinococcus granulosus	geminin	0.0359	0.0943	0.1038
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0044	0.0019	0.0019
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0044	0.0019	0.0525
Brugia malayi	beta-lactamase	0.0038	0.0002	0.0013
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0019	0.0525
Mycobacterium ulcerans	acyl-CoA synthetase	0.0149	0.0327	1
Echinococcus multilocularis	protein patched	0.0042	0.0014	0.0012
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0044	0.0019	0.0297
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0041	0.0012	0.047
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0149	0.0327	0.5441
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0327	0.2555
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0044	0.0019	0.0297
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0014	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0061	0.007	0.0534
Schistosoma mansoni	hypothetical protein	0.0187	0.0439	0.0483
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0044	0.0019	0.0019
Mycobacterium ulcerans	acyl-CoA synthetase	0.0149	0.0327	1
Brugia malayi	Muscleblind-like protein	0.0473	0.1275	1
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0068	0.0073
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0041	0.0012	0.0092
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0056	0.0054	0.0409
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0019	0.0525
Schistosoma mansoni	ets-related	0.0217	0.0526	0.0579
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0044	0.0019	0.2582
Mycobacterium ulcerans	hypothetical protein	0.0149	0.0327	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0019	0.0525
Schistosoma mansoni	acetyl-CoA synthetase	0.0044	0.0019	0.0019
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0044	0.0019	0.0297
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0019	0.0147
Echinococcus multilocularis	muscleblind protein 1	0.0473	0.1275	0.1273
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0044	0.0019	0.0794
Brugia malayi	Ets-domain containing protein	0.0071	0.01	0.0785
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0217	0.1688
Schistosoma mansoni	hypothetical protein	0.0359	0.0943	0.1038
Mycobacterium ulcerans	acyl-CoA synthetase	0.0149	0.0327	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.01	0.0182	0.0199
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0104	0.0194	0.152
Brugia malayi	Niemann-Pick C1 protein precursor	0.0098	0.0178	0.1395
Entamoeba histolytica	hypothetical protein	0.0187	0.0439	0.0465
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0056	0.0054	0.0057
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0054	0.0057
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0105	0.0199	0.3303
Echinococcus granulosus	muscleblind protein	0.0473	0.1275	0.1404
Brugia malayi	hypothetical protein	0.0149	0.0328	0.2569
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0056	0.0054	0.0057
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0149	0.0327	1
Brugia malayi	Metabotropic glutamate receptor precursor.	0.004	0.0007	0.0055
Echinococcus granulosus	mitogen activated protein kinase 3	0.0056	0.0054	0.0057
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0054	0.0057
Loa Loa (eye worm)	oxidoreductase	0.0044	0.0019	0.0134
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0002	0.0012
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0187	0.0439	0.0483
Loa Loa (eye worm)	hypothetical protein	0.0473	0.1275	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0149	0.0327	0.0359
Schistosoma mansoni	hypothetical protein	0.0041	0.0009	0.0009
Schistosoma mansoni	patched 1	0.0042	0.0014	0.0013
Plasmodium vivax	acyl-CoA synthetase, putative	0.0111	0.0217	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.015	0.0329	0.0361
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0044	0.0019	0.0134
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0068	0.0073
Brugia malayi	CHE-14 protein	0.0042	0.0014	0.0109
Schistosoma mansoni	hypothetical protein	0.0071	0.0098	0.0106
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0044	0.0019	0.0525
Echinococcus granulosus	Niemann Pick C1 protein	0.0098	0.0178	0.0194
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0056	0.0054	0.0052
Brugia malayi	AMP-binding enzyme family protein	0.0044	0.0019	0.0147
Brugia malayi	AMP-binding enzyme family protein	0.0149	0.0327	0.2564
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0019	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0327	0.2555
Schistosoma mansoni	hypothetical protein	0.0041	0.0009	0.0009
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0044	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0194	0.1509
Entamoeba histolytica	hypothetical protein	0.0187	0.0439	0.0465
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0044	0.0019	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0217	0.1688
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0044	0.0019	0.0017
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0056	0.0054	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0019	0.0134
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0044	0.0019	0.0297
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0056	0.0054	0.7877
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0002	0.0012
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0044	0.0019	0.0525
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0002	0.0012
Trichomonas vaginalis	conserved hypothetical protein	0.3133	0.9068	1
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0098	0.0178	0.0176
Schistosoma mansoni	gabp alpha	0.0071	0.01	0.0108
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0002	0.0012
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0104	0.0194	0.152
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0068	0.1115
Schistosoma mansoni	serine/threonine protein kinase	0.0056	0.0054	0.0057
Echinococcus multilocularis	GA binding protein alpha chain	0.0071	0.01	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0098	0.0756

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.58 nM	Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay	ChEMBL.	25347033
EC50 (functional)	= 0.85 nM	Activity at mouse MC1R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay	ChEMBL.	25347033
EC50 (functional)	= 1.76 nM	Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay	ChEMBL.	25347033
EC50 (functional)	= 3.7 nM	Activity at mouse MC3R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay	ChEMBL.	25347033

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: CHEMBL3358547

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 944066