TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 444.433 | Formula: C25H18F2N4O2
H donors: 1 H acceptors: 3 LogP: 3.18 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(c(c1)C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2c1cccc2)F
InChi: 1S/C25H18F2N4O2/c26-18-8-9-21(27)20(12-18)24(32)29-23-10-7-16(13-28-23)25(33)31-15-19-5-3-11-30(19)14-17-4-1-2-6-22(17)31/h1-13H,14-15H2,(H,28,29,32)
InChiKey: YIGSTWBNRYHWAC-UHFFFAOYSA-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
Rattus norvegicus	Vasopressin V1a receptor	Starlite/ChEMBL	References
Rattus norvegicus	Vasopressin V2 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
Onchocerca volvulus		Vasopressin V2 receptor	371 aa	331 aa	21.4 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Vasopressin V1a receptor	424 aa	400 aa	21.8 %
Onchocerca volvulus	Phospholipase d-related homolog	Vasopressin V2 receptor	371 aa	336 aa	19.0 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Vasopressin V1a receptor	424 aa	348 aa	21.6 %
Onchocerca volvulus		Vasopressin V1a receptor	424 aa	378 aa	21.4 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Vasopressin V1a receptor	424 aa	373 aa	24.9 %
Loa Loa (eye worm)	hypothetical protein	Vasopressin V1a receptor	424 aa	382 aa	22.8 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Vasopressin V2 receptor	371 aa	310 aa	20.3 %
Onchocerca volvulus		Vasopressin V2 receptor	371 aa	315 aa	22.5 %
Echinococcus multilocularis	rhodopsin orphan GPCR	Vasopressin V1a receptor	424 aa	370 aa	21.9 %
Echinococcus granulosus	neuropeptide receptor	Vasopressin V2 receptor	371 aa	301 aa	22.9 %
Echinococcus granulosus	allatostatin A receptor	Vasopressin V2 receptor	371 aa	361 aa	23.8 %
Onchocerca volvulus		Vasopressin V1a receptor	424 aa	347 aa	21.9 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Vasopressin V2 receptor	371 aa	314 aa	21.3 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Vasopressin V2 receptor	371 aa	332 aa	24.1 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Vasopressin V2 receptor	371 aa	357 aa	21.6 %
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	Vasopressin V2 receptor	371 aa	382 aa	22.5 %
Echinococcus multilocularis	neuropeptide receptor	Vasopressin V2 receptor	371 aa	301 aa	22.6 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Vasopressin V2 receptor	371 aa	309 aa	21.0 %
Echinococcus multilocularis	allatostatin A receptor	Vasopressin V2 receptor	371 aa	362 aa	23.5 %
Schistosoma mansoni	adenoreceptor	Vasopressin V2 receptor	371 aa	317 aa	26.2 %
Echinococcus multilocularis	neuropeptides capa receptor	Vasopressin V1a receptor	424 aa	462 aa	19.5 %
Brugia malayi	GnHR receptor homolog	Vasopressin V2 receptor	371 aa	304 aa	22.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	AMP-binding enzyme family protein	0.0099	0.0095	0.6044
Loa Loa (eye worm)	oxidoreductase	0.0099	0.0095	0.6044
Mycobacterium tuberculosis	Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC	0.1348	0.1833	0.1833
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0141	0.0154	0.0154
Onchocerca volvulus		0.0077	0.0065	0.3955
Schistosoma mansoni	methyltransferase-related	0.0036	0.0007	0.0166
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0099	0.0095	1
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0099	0.0095	0.0095
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0085	0.0076	0.0076
Toxoplasma gondii	propionate-CoA ligase	0.0099	0.0095	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0036	0.2006
Chlamydia trachomatis	isoleucine--tRNA ligase	0.0097	0.0093	1
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0141	0.0154	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0095	0.0095
Giardia lamblia	Isoleucyl-tRNA synthetase	0.0097	0.0093	1
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.7218	1	1
Mycobacterium tuberculosis	Possible DNA glycosylase	0.0094	0.0089	0.0089
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0056	0.0035	0.327
Mycobacterium leprae	Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme)	0.245	0.3366	1
Entamoeba histolytica	isoleucyl-tRNA synthetase, putative	0.0097	0.0093	0.8237
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0095	0.0095
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0099	0.0095	1
Mycobacterium ulcerans	pantoate--beta-alanine ligase	0.245	0.3366	0.3366
Onchocerca volvulus		0.0099	0.0095	0.6044
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0095	0.0095
Toxoplasma gondii	isoleucyl-tRNA synthetase family protein	0.0097	0.0093	0.026
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0099	0.0095	0.6044
Echinococcus granulosus	Threonyl tRNA synthetase C	0.0056	0.0035	0.327
Plasmodium falciparum	isoleucine--tRNA ligase, putative	0.0129	0.0137	1
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0141	0.0154	0.0154
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0056	0.0035	0.327
Echinococcus multilocularis	isoleucyl tRNA synthetase, cytoplasmic	0.0097	0.0093	0.9764
Trypanosoma brucei	threonyl-tRNA synthetase, putative	0.0056	0.0035	0.327
Mycobacterium ulcerans	hypothetical protein	0.0099	0.0095	0.0095
Brugia malayi	Methyltransferase-like protein 4	0.0036	0.0007	0.01
Plasmodium falciparum	threonine--tRNA ligase	0.0049	0.0026	0.1534
Mycobacterium tuberculosis	Probable valyl-tRNA synthase protein ValS (valyl-tRNA synthetase) (valine--tRNA ligase) (valine translase)	0.0034	0.0006	0.0006
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0099	0.0095	0.0095
Giardia lamblia	Threonyl-tRNA synthetase	0.0049	0.0026	0.2301
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0099	0.0095	0.0283
Echinococcus granulosus	isoleucyl tRNA synthetase, cytoplasmic	0.0097	0.0093	0.9764
Onchocerca volvulus		0.0141	0.0154	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0111	0.0112	0.0112
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0095	0.0095
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0099	0.0095	0.0095
Trypanosoma brucei	isoleucyl-tRNA synthetase, putative	0.0097	0.0093	0.9764
Leishmania major	4-coumarate:coa ligase-like protein	0.0099	0.0095	1
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0099	0.0095	0.0266
Mycobacterium leprae	Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA GLYCOSYLASE)	0.0094	0.0089	0.0265
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0042	0.0017	0.0049
Leishmania major	4-coumarate:coa ligase-like protein	0.0099	0.0095	1
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0099	0.0095	1
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0638	0.0846	0.0846
Onchocerca volvulus		0.0141	0.0154	1
Onchocerca volvulus		0.0099	0.0095	0.6044
Entamoeba histolytica	threonyl-tRNA synthetase, putative	0.0049	0.0026	0.1895
Brugia malayi	threonyl-tRNA synthetase, cytoplasmic	0.0056	0.0035	0.1977
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0099	0.0095	0.0095
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0099	0.0095	0.0266
Mycobacterium tuberculosis	Hypothetical protein	0.0036	0.0007	0.0007
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0141	0.0154	0.0154
Schistosoma mansoni	isoleucine--tRNA ligase	0.0097	0.0093	0.9764
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0099	0.0095	0.0095
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0099	0.0095	1
Brugia malayi	isoleucyl-tRNA synthetase family protein	0.0097	0.0093	0.5901
Toxoplasma gondii	threonyl-tRNA synthetase family protein	0.0049	0.0026	0.006
Brugia malayi	AMP-binding enzyme family protein	0.0056	0.0036	0.2006
Mycobacterium leprae	PROBABLE VALYL-tRNA SYNTHASE PROTEIN VALS (VALYL-tRNA SYNTHETASE) (VALINE--tRNA LIGASE) (VALINE TRANSLASE) ELONGS TO CLASS-I AMI	0.0034	0.0006	0.0018
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0099	0.0095	0.0095
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.0099	0.0095	0.0283
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0099	0.0095	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0099	0.0095	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0099	0.0095	0.8436
Mycobacterium leprae	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase)	0.0049	0.0026	0.0077
Mycobacterium tuberculosis	Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme)	0.245	0.3366	0.3366
Leishmania major	isoleucyl-tRNA synthetase, putative	0.0097	0.0093	0.9764
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0141	0.0154	0.0154
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0095	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0095	0.6044
Plasmodium falciparum	isoleucine--tRNA ligase, putative	0.0097	0.0093	0.6665
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0095	0.6044
Brugia malayi	isoleucyl-tRNA synthetase	0.0097	0.0093	0.5901
Plasmodium vivax	isoleucine--tRNA ligase, putative	0.0097	0.0093	0.9764
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0095	0.0095
Brugia malayi	AMP-binding enzyme family protein	0.0099	0.0095	0.6044
Leishmania major	threonyl-tRNA synthetase, putative	0.0056	0.0035	0.327
Schistosoma mansoni	isoleucine--tRNA ligase	0.0097	0.0093	0.9764
Echinococcus multilocularis	isoleucyl tRNA synthetase, mitochondrial	0.0077	0.0065	0.6544
Trichomonas vaginalis	isoleucyl tRNA synthetase, putative	0.0097	0.0093	0.9764
Giardia lamblia	Methyltransferase like 2	0.0036	0.0007	0.017
Trichomonas vaginalis	antibiotic synthetase, putative	0.0099	0.0095	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0099	0.0095	0.0095
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0095	0.0095
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.1691	0.2311	0.2311
Echinococcus multilocularis	Threonyl tRNA synthetase, C	0.0056	0.0035	0.327
Brugia malayi	AMP-binding enzyme family protein	0.0099	0.0095	0.6044
Schistosoma mansoni	threonyl-tRNA synthetase	0.0044	0.002	0.1514
Mycobacterium tuberculosis	Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA glycosylase)	0.0094	0.0089	0.0089
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0099	0.0095	0.0095
Mycobacterium ulcerans	valyl-tRNA synthetase	0.0034	0.0006	0.0006
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0111	0.0112	0.0112
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0099	0.0095	0.0283
Schistosoma mansoni	acetyl-CoA synthetase	0.0099	0.0095	1
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.1348	0.1833	0.1833
Trichomonas vaginalis	antibiotic synthetase, putative	0.0099	0.0095	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0095	0.0095
Echinococcus granulosus	isoleucyl trna synthetase mitochondrial	0.0077	0.0065	0.6544
Onchocerca volvulus		0.0111	0.0112	0.7164
Leishmania major	4-coumarate:coa ligase-like protein	0.0099	0.0095	1
Trypanosoma cruzi	isoleucyl-tRNA synthetase, putative	0.0097	0.0093	0.9764
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0093	0.5901
Brugia malayi	AMP-binding enzyme family protein	0.0141	0.0154	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0099	0.0095	0.0095
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0099	0.0095	0.0095
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0099	0.0095	0.0095
Chlamydia trachomatis	threonine--tRNA ligase	0.0056	0.0035	0.335
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0007	0.0007
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0099	0.0095	0.8436
Echinococcus granulosus	leucyl tRNA synthetase	0.0054	0.0033	0.3057
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0141	0.0154	0.0154
Treponema pallidum	isoleucyl-tRNA synthetase	0.0097	0.0093	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0095	0.6044
Trichomonas vaginalis	threonyl-tRNA synthetase, putative	0.0049	0.0026	0.2247
Mycobacterium ulcerans	thioesterase	0.0497	0.065	0.065
Mycobacterium ulcerans	isoleucyl-tRNA synthetase	0.0097	0.0093	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0065	0.3955
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0007	0.0166
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0099	0.0095	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0095	0.0095
Wolbachia endosymbiont of Brugia malayi	threonyl-tRNA synthetase	0.0049	0.0026	0.2301
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0095	0.6044
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0099	0.0095	0.8436
Leishmania major	hypothetical protein, conserved	0.0036	0.0007	0.0166
Leishmania major	acetyl-CoA synthetase, putative	0.0099	0.0095	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0099	0.0095	0.0095
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0099	0.0095	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0042	0.0017	0.0017
Toxoplasma gondii	pantoate-beta-alanine ligase	0.245	0.3366	1
Treponema pallidum	threonyl-tRNA synthetase	0.0049	0.0026	0.2301
Plasmodium vivax	threonine--tRNA ligase, putative	0.0049	0.0026	0.2247
Mycobacterium leprae	Probable cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC	0.1348	0.1833	0.5445
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0099	0.0095	0.6826
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0099	0.0095	0.6044
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0111	0.0112	0.7164
Mycobacterium ulcerans	formamidopyrimidine-DNA glycosylase	0.0094	0.0089	0.0089
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0099	0.0095	0.0095
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0095	0.0095
Mycobacterium tuberculosis	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase)	0.0049	0.0026	0.0026
Mycobacterium leprae	isoleucyl-tRNA synthetase IleS	0.0097	0.0093	0.0277
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0099	0.0095	0.0095
Loa Loa (eye worm)	threonyl-tRNA synthetase	0.0056	0.0035	0.1977
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0141	0.0154	0.0154
Mycobacterium tuberculosis	Isoleucyl-tRNA synthetase IleS	0.0063	0.0045	0.0045
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0099	0.0095	0.0095
Brugia malayi	AMP-binding enzyme family protein	0.0099	0.0095	0.6044
Wolbachia endosymbiont of Brugia malayi	formamidopyrimidine-DNA glycosylase	0.0094	0.0089	0.9512
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0099	0.0095	0.0283
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0111	0.0112	1
Loa Loa (eye worm)	isoleucyl-tRNA synthetase	0.0097	0.0093	0.5901
Mycobacterium ulcerans	formamidopyrimidine-DNA glycosylase	0.0094	0.0089	0.0089
Mycobacterium ulcerans	threonyl-tRNA synthetase	0.0049	0.0026	0.0026
Leishmania major	acetyl-CoA synthetase, putative	0.0099	0.0095	1
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0099	0.0095	1
Brugia malayi	AMP-binding enzyme family protein	0.0099	0.0095	0.6044
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0111	0.0112	0.0333
Wolbachia endosymbiont of Brugia malayi	isoleucyl-tRNA synthetase	0.0097	0.0093	1
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0099	0.0095	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0095	0.6044
Brugia malayi	AMP-binding enzyme family protein	0.0099	0.0095	0.6044

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 240 nM	Displacement of P[3H]-AVP from isolated rat kidney medullary V2 receptor	ChEMBL.	10406633
IC50 (binding)	= 240 nM	Displacement of P[3H]-AVP from isolated rat kidney medullary V2 receptor	ChEMBL.	10406633
IC50 (binding)	= 310 nM	Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor	ChEMBL.	10406633
IC50 (binding)	= 310 nM	Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor	ChEMBL.	10406633
Urine volume (ADMET)	= 11.8 ml 4hr-1	Amount of urine output was measured in rat at a dose of 10 mg/kg/po	ChEMBL.	10406633

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: CHEMBL49657

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 69848