TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 593.798 | Formula: C29H43N3O6S2
H donors: 3 H acceptors: 6 LogP: 2.02 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: O=C(C(CCS(=O)(=O)C)N)NC[C@@]1(O)C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)C=Cc1c2cccc1)(C)C
InChi: 1S/C29H43N3O6S2/c1-26(2)22-9-12-28(26,29(34,18-22)19-31-25(33)24(30)10-17-39(3,35)36)20-40(37,38)32-15-13-27(14-16-32)11-8-21-6-4-5-7-23(21)27/h4-8,11,22,24,34H,9-10,12-20,30H2,1-3H3,(H,31,33)/t22-,24?,28+,29+/m1/s1
InChiKey: FEPUOBDPUNRMJO-MFCSNTOFSA-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 V1 receptor	Starlite/ChEMBL	References
Rattus norvegicus	Vasopressin V2 receptor	Starlite/ChEMBL	References
Rattus norvegicus	Oxytocin 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
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Oxytocin receptor	388 aa	349 aa	22.9 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Oxytocin receptor	388 aa	323 aa	21.7 %
Echinococcus granulosus	allatostatin A receptor	Oxytocin receptor	388 aa	313 aa	23.6 %
Echinococcus granulosus	neuropeptide receptor	Oxytocin receptor	388 aa	324 aa	21.9 %
Onchocerca volvulus		Oxytocin receptor	388 aa	327 aa	23.9 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Vasopressin V2 receptor	371 aa	357 aa	21.6 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Vasopressin V2 receptor	371 aa	310 aa	20.3 %
Echinococcus granulosus	orexin receptor type 2	Oxytocin receptor	388 aa	338 aa	24.3 %
Echinococcus multilocularis	orexin receptor type 2	Oxytocin receptor	388 aa	332 aa	23.2 %
Onchocerca volvulus		Vasopressin V2 receptor	371 aa	315 aa	22.5 %
Schistosoma mansoni	adenoreceptor	Vasopressin V2 receptor	371 aa	317 aa	26.2 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Oxytocin receptor	388 aa	346 aa	24.0 %
Echinococcus multilocularis	allatostatin A receptor	Oxytocin receptor	388 aa	311 aa	21.9 %
Onchocerca volvulus		Vasopressin V2 receptor	371 aa	331 aa	21.4 %
Onchocerca volvulus	Phospholipase d-related homolog	Oxytocin receptor	388 aa	330 aa	20.0 %
Echinococcus multilocularis	neuropeptide receptor	Oxytocin receptor	388 aa	324 aa	21.6 %
Onchocerca volvulus		Vasopressin V1 receptor	425 aa	392 aa	21.9 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Vasopressin V2 receptor	371 aa	314 aa	21.3 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Oxytocin receptor	388 aa	327 aa	19.3 %
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	Vasopressin V2 receptor	371 aa	382 aa	22.5 %
Loa Loa (eye worm)	hypothetical protein	Vasopressin V1 receptor	425 aa	370 aa	24.3 %
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
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.011	0.0648
Schistosoma mansoni	serine/threonine protein kinase	0.0052	0.0208	0.1225
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0096	0.0473	0.1707
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0049	0.0188	0.0965
Entamoeba histolytica	phosphofructokinase, putative	0.0053	0.0212	1
Echinococcus multilocularis	zinc finger protein	0.002	0.0016	0.0057
Leishmania major	ATP-dependent phosphofructokinase	0.0053	0.0212	0.0542
Onchocerca volvulus		0.0036	0.011	0.0322
Brugia malayi	mbt repeat family protein	0.0049	0.0188	0.066
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0009	0.0033
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0172	0.101
Brugia malayi	Bromodomain containing protein	0.0039	0.0131	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0176	0.0631
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.011	0.0101
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0172	0.063
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0157	0.0564
Echinococcus granulosus	SAM and MBT domain containing protein	0.0049	0.0188	0.0691
Trypanosoma brucei	Peptide deformylase 2	0.064	0.3751	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0172	0.0617
Onchocerca volvulus		0.0049	0.0188	0.0965
Loa Loa (eye worm)	hypothetical protein	0.0036	0.011	0.039
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.011	0.0101
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0009	0.0033
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.011	0.0101
Brugia malayi	beta-lactamase family protein	0.0036	0.011	0.0372
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0208	0.1558
Echinococcus multilocularis	polycomb protein SCMH1	0.0049	0.0188	0.0691
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0195	0.1074	0.3936
Mycobacterium tuberculosis	Conserved protein	0.0036	0.011	0.0101
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0208	0.1558
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0188	0.1108
Brugia malayi	mbt repeat family protein	0.0049	0.0188	0.066
Onchocerca volvulus		0.0231	0.1289	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0052	0.0208	0.0533
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0047	0.0176	0.1033
Echinococcus granulosus	survival motor neuron protein 1	0.047	0.2728	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0071	0.0417
Echinococcus multilocularis	mitogen activated protein kinase	0.0052	0.0208	0.0764
Echinococcus granulosus	histone acetyltransferase MYST2	0.0055	0.0229	0.0839
Trichomonas vaginalis	phosphofructokinase, putative	0.0053	0.0212	0.1584
Brugia malayi	Bromodomain containing protein	0.0076	0.0356	0.1277
Echinococcus multilocularis	survival motor neuron protein 1	0.047	0.2728	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.011	0.0101
Brugia malayi	beta-lactamase family protein	0.0036	0.011	0.0372
Loa Loa (eye worm)	6-phosphofructokinase	0.0053	0.0212	0.0763
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0053	0.0212	0.0542
Brugia malayi	beta-lactamase	0.0036	0.011	0.0372
Brugia malayi	hypothetical protein	0.047	0.2728	1
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0052	0.0208	0.0533
Trichomonas vaginalis	set domain proteins, putative	0.0231	0.1289	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0071	0.0062
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.011	0.079
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0055	0.0229	0.0839
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.011	0.0372
Mycobacterium ulcerans	lipase LipD	0.0036	0.011	0.0101
Entamoeba histolytica	phosphofructokinase, putative	0.0053	0.0212	1
Schistosoma mansoni	ap endonuclease	0.0019	0.0009	0.0052
Brugia malayi	PHD-finger family protein	0.0025	0.0048	0.0145
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.011	0.079
Brugia malayi	Pre-SET motif family protein	0.0203	0.112	0.4087
Schistosoma mansoni	6-phosphofructokinase	0.0053	0.0212	0.1245
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.011	0.027
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0131	0.0467
Loa Loa (eye worm)	hypothetical protein	0.047	0.2728	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0061	0.0262	0.0961
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0071	0.0417
Echinococcus granulosus	6 phosphofructokinase	0.0053	0.0212	0.0776
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0172	0.0599
Brugia malayi	6-phosphofructokinase	0.0053	0.0212	0.0746
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0053	0.0212	0.0103
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.011	0.0101
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.011	0.039
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.011	0.0101
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0052	0.0208	0.0751
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0022	0.0067
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0208	0.1558
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.064	0.3751	1
Echinococcus granulosus	zinc finger protein	0.002	0.0016	0.0057
Echinococcus granulosus	polycomb protein SCMH1	0.0049	0.0188	0.0691
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.011	0.0101
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.1676	1	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.011	0.0101
Trichomonas vaginalis	phosphofructokinase, putative	0.0053	0.0212	0.1584
Trypanosoma cruzi	Peptide deformylase 2, putative	0.064	0.3751	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0172	0.063
Brugia malayi	Pre-SET motif family protein	0.0029	0.0071	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0036	0.011	0.039
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0116	0.0425
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0245	0.1371	0.5018
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0009	0.0019
Loa Loa (eye worm)	MBCTL1	0.0055	0.0229	0.0827
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.011	0.079
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0064	0.0236
Echinococcus granulosus	mitogen activated protein kinase	0.0052	0.0208	0.0764
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0229	0.0827
Echinococcus multilocularis	6 phosphofructokinase	0.0053	0.0212	0.0776
Schistosoma mansoni	hypothetical protein	0.03	0.1701	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0071	0.026
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0188	0.0678
Leishmania major	polypeptide deformylase-like protein, putative	0.064	0.3751	1
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0195	0.1074	0.3936
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.011	0.0648
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0146	0.0521
Loa Loa (eye worm)	hypothetical protein	0.0036	0.011	0.039
Schistosoma mansoni	hypothetical protein	0.0021	0.0022	0.0129
Trypanosoma brucei	protein kinase, putative	0.0052	0.0208	0.0533
Loa Loa (eye worm)	hypothetical protein	0.0036	0.011	0.039
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0116	0.0425
Onchocerca volvulus		0.0036	0.011	0.0322
Mycobacterium ulcerans	hypothetical protein	0.0036	0.011	0.0101
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0228	0.1269	0.1261
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0188	0.1108
Schistosoma mansoni	zinc finger protein	0.002	0.0016	0.0091
Trichomonas vaginalis	phosphofructokinase, putative	0.0053	0.0212	0.1584
Entamoeba histolytica	phosphofructokinase, putative	0.0053	0.0212	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0172	0.101
Trypanosoma brucei	Polypeptide deformylase 1	0.064	0.3751	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0203	0.112	0.4098
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0172	0.063
Giardia lamblia	Kinase, CMGC MAPK	0.0052	0.0208	1
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0055	0.0229	0.0809
Schistosoma mansoni	hypothetical protein	0.0096	0.0473	0.2781
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0052	0.0208	0.0533
Mycobacterium ulcerans	peptide deformylase	0.1676	1	1
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0053	0.0212	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0036	0.011	0.039
Onchocerca volvulus		0.0036	0.011	0.0322
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0049	0.0188	0.0691
Brugia malayi	MAP kinase sur-1	0.0052	0.0208	0.0734
Brugia malayi	6-phosphofructokinase	0.0053	0.0212	0.0746
Plasmodium falciparum	peptide deformylase	0.1676	1	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0052	0.0208	0.02
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0172	0.063
Loa Loa (eye worm)	phosphofructokinase	0.0053	0.0212	0.0763
Schistosoma mansoni	6-phosphofructokinase	0.0053	0.0212	0.1245
Loa Loa (eye worm)	beta-lactamase	0.0036	0.011	0.039
Trichomonas vaginalis	phosphofructokinase, putative	0.0053	0.0212	0.1584
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0034	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0072	0.033	0.1197
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.1676	1	1
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0053	0.0212	0.0542
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.1676	1	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0047	0.0176	0.0644
Loa Loa (eye worm)	6-phosphofructokinase	0.0053	0.0212	0.0763
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.011	0.0101
Toxoplasma gondii	ABC1 family protein	0.0036	0.011	0.0101
Treponema pallidum	polypeptide deformylase (def)	0.1676	1	1
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.064	0.3751	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.011	0.0101
Schistosoma mansoni	ap endonuclease	0.0019	0.0009	0.0052
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0172	0.101
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0052	0.0208	0.0533
Brugia malayi	phosphofructokinase	0.0053	0.0212	0.0746
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.011	0.0404
Mycobacterium ulcerans	beta-lactamase	0.0036	0.011	0.0101
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0047	0.0176	0.0644
Leishmania major	hypothetical protein, conserved	0.0036	0.011	0.027
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.011	0.079
Trichomonas vaginalis	esterase, putative	0.0036	0.011	0.079
Mycobacterium tuberculosis	Conserved protein	0.0036	0.011	0.0101
Loa Loa (eye worm)	mbt repeat family protein	0.0049	0.0188	0.0678
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0034	0.0198
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0047	0.0176	0.1033
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0052	0.0208	0.0533
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0052	0.0208	0.0533
Mycobacterium ulcerans	6-phosphofructokinase	0.0053	0.0212	0.0203
Plasmodium vivax	peptide deformylase, putative	0.1676	1	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0061	0.0262	0.0961
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0055	0.0229	0.0839
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0208	0.1558
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0034	0.0124
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.011	0.027
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0052	0.0208	0.0764
Echinococcus granulosus	mitogen activated protein kinase 3	0.0052	0.0208	0.0764
Plasmodium vivax	SET domain protein, putative	0.0029	0.0071	0.0062
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.011	0.079
Brugia malayi	follicle stimulating hormone receptor	0.0245	0.1371	0.5009
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0053	0.0212	0.0203
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0052	0.0208	0.0533
Onchocerca volvulus		0.0096	0.0473	0.33
Trypanosoma cruzi	Peptide deformylase 2, putative	0.064	0.3751	1
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.011	0.027
Schistosoma mansoni	survival motor neuron protein	0.0096	0.0473	0.2781
Loa Loa (eye worm)	hypothetical protein	0.0036	0.011	0.039
Mycobacterium tuberculosis	Conserved protein	0.0036	0.011	0.0101
Toxoplasma gondii	hypothetical protein	0.1676	1	1
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0049	0.0188	0.1108
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0055	0.0229	0.1346
Schistosoma mansoni	bromodomain containing protein	0.0065	0.0284	0.1671
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0055	0.0229	0.0839
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.011	0.0404

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 110 nM	Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue	ChEMBL.	8258821
IC50 (binding)	= 110 nM	Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue	ChEMBL.	8258821
IC50 (binding)	= 3700 nM	Inhibition of radioligand [3H]-AVP binding to the vasopressin V1 receptor in rat liver tissue	ChEMBL.	8258821
IC50 (binding)	= 3700 nM	Inhibition of radioligand [3H]-AVP binding to the vasopressin V1 receptor in rat liver tissue	ChEMBL.	8258821
IC50 (binding)	= 9200 nM	Inhibition of radioligand [3H]-AVP binding to the vasopressin V2 receptor in rat kidney tissue	ChEMBL.	8258821
IC50 (binding)	= 9200 nM	Inhibition of radioligand [3H]-AVP binding to the vasopressin V2 receptor in rat kidney tissue	ChEMBL.	8258821

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: CHEMBL131388

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 224894