TDR Targets

Basic information

Technical information

TDR Targets ID: 180897
Name: (E)-but-2-enedioic acid; 4-(2,6-dimethylpheny l)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phe nyl]piperazine-1-carboxamide
MW: 553.65 | Formula: C29H39N5O6
H donors: 3 H acceptors: 5 LogP: 0.61 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)/C=C/C(=O)O.COc1ccc(cc1N1CCN(CC1)C)NC(=O)N1CCN(CC1)c1c(C)cccc1C
InChi: 1S/C25H35N5O2.C4H4O4/c1-19-6-5-7-20(2)24(19)29-14-16-30(17-15-29)25(31)26-21-8-9-23(32-4)22(18-21)28-12-10-27(3)11-13-28;5-3(6)1-2-4(7)8/h5-9,18H,10-17H2,1-4H3,(H,26,31);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChiKey: GSXITRJJYMGHDZ-WLHGVMLRSA-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

4-(2,6-dimethylphenyl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide; fumaric acid
4-(2,6-dimethylphenyl)-N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-1-piperazinecarboxamide; fumaric acid
4-(2,6-dimethylphenyl)-N-[4-methoxy-3-(4-methylpiperazino)phenyl]piperazine-1-carboxamide; fumaric acid
but-2-enedioic acid; 4-(2,6-dimethylphenyl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
but-2-enedioic acid; 4-(2,6-dimethylphenyl)-N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-1-piperazinecarboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled	Starlite/ChEMBL	No references
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled	Starlite/ChEMBL	No references
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	5-hydroxytryptamine receptor, putative	Get druggable targets OG5_133680	All targets in OG5_133680
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133680	All targets in OG5_133680
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Brugia malayi	Serotonin/octopamine receptor family protein 7	Get druggable targets OG5_141128	All targets in OG5_141128
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	ko:K04165 Oamb gene product from transcript, putative	Get druggable targets OG5_141128	All targets in OG5_141128
Schistosoma japonicum	Octopamine receptor, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus granulosus	biogenic amine 5HT receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_141128	All targets in OG5_141128
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	Get druggable targets OG5_141128	All targets in OG5_141128
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_141128	All targets in OG5_141128

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	AT19640p	5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled	390 aa	335 aa	21.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0324	0.2139	0.2444
Brugia malayi	MH2 domain containing protein	0.0107	0.0474	0.0539
Echinococcus granulosus	biogenic amine 5HT receptor	0.0158	0.0871	0.1301
Echinococcus granulosus	histone lysine methyltransferase setb	0.0267	0.1704	0.2545
Schistosoma mansoni	jumonji domain containing protein	0.0274	0.1756	0.7056
Schistosoma mansoni	hypothetical protein	0.0102	0.0437	0.1702
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0149	0.0798	0.091
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0175	0.0197
Echinococcus granulosus	neuropeptide receptor A26	0.0542	0.3815	0.5698
Echinococcus granulosus	chromobox protein 1	0.0251	0.1579	0.2359
Echinococcus granulosus	fetal alzheimer antigen falz	0.0128	0.064	0.0957
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0097	0.0401	0.0599
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0205	0.1225	0.183
Loa Loa (eye worm)	hypothetical protein	0.0368	0.2482	0.2835
Toxoplasma gondii	PHD-finger domain-containing protein	0.0105	0.0463	0.367
Toxoplasma gondii	aldehyde dehydrogenase	0.007	0.0193	0.0231
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0175	0.0197
Trichomonas vaginalis	chromobox protein, putative	0.0251	0.1579	0.1429
Loa Loa (eye worm)	hypothetical protein	0.0349	0.2331	0.2663
Loa Loa (eye worm)	transcription factor SMAD2	0.0107	0.0474	0.0539
Mycobacterium tuberculosis	Probable dehydrogenase	0.0096	0.0395	0.0785
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0138	0.0716	0.2836
Echinococcus granulosus	chromodomain helicase DNA binding protein 4	0.0052	0.0054	0.0081
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0141	0.0734	0.0569
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0052	0.0054	0.0149
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.017	0.096	0.1433
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0047	0.0018	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0232	0.1435	0.1638
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0175	0.0197
Echinococcus multilocularis	chromobox protein 1	0.0251	0.1579	0.2359
Brugia malayi	PHD-finger family protein	0.0105	0.0463	0.0526
Brugia malayi	Bromodomain containing protein	0.0119	0.0567	0.0644
Trypanosoma cruzi	ISWI complex protein	0.0087	0.0324	1
Echinococcus multilocularis	peregrin	0.0119	0.0567	0.0846
Loa Loa (eye worm)	hypothetical protein	0.0243	0.1518	0.1733
Schistosoma mansoni	hypothetical protein	0.0105	0.0463	0.1809
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0096	0.0395	0.0785
Onchocerca volvulus	Alhambra homolog	0.0105	0.0463	0.0293
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0068	0.0175	0.0197
Onchocerca volvulus		0.0134	0.0686	0.052
Echinococcus multilocularis	neuropeptide receptor A26	0.0542	0.3815	0.5698
Trypanosoma brucei	ISWI complex protein	0.0087	0.0324	1
Loa Loa (eye worm)	hypothetical protein	0.0368	0.2482	0.2835
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0205	0.1225	0.183
Loa Loa (eye worm)	PHD-finger family protein	0.0105	0.0463	0.0526
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.0193	0.0714
Leishmania major	hypothetical protein, conserved	0.0087	0.0324	1
Onchocerca volvulus		0.011	0.0501	0.0332
Brugia malayi	SET domain containing protein	0.0047	0.0019	0.0018
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.034	0.2263	0.338
Echinococcus granulosus	zinc finger protein	0.0111	0.0511	0.0763
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.017	0.096	0.3823
Echinococcus granulosus	GPCR family 2	0.0047	0.0018	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0871	0.0992
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0211	0.1274	0.51
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0138	0.0716	0.2836
Loa Loa (eye worm)	heterochromatin protein 1	0.0251	0.1579	0.1803
Brugia malayi	latrophilin 2 splice variant baaae	0.0102	0.0437	0.0496
Mycobacterium tuberculosis	Probable reductase	0.0096	0.0395	0.0785
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0128	0.064	0.2528
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0193	1
Trichomonas vaginalis	chromobox protein, putative	0.0151	0.0816	0.0652
Brugia malayi	jmjC domain containing protein	0.0138	0.0716	0.0816
Loa Loa (eye worm)	hypothetical protein	0.0267	0.1704	0.1946
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0107	0.0478	0.108
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0437	0.0496
Onchocerca volvulus		0.0211	0.1274	0.1119
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0798	0.091
Brugia malayi	beta-lactamase	0.0068	0.0175	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0219	0.1332	0.152
Brugia malayi	beta-lactamase family protein	0.0068	0.0175	0.0197
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0097	0.0401	0.1555
Loa Loa (eye worm)	hypothetical protein	0.011	0.0501	0.057
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.007	0.0193	0.1216
Brugia malayi	Bromodomain containing protein	0.0427	0.2931	0.335
Echinococcus multilocularis	chromobox protein 1	0.0251	0.1579	0.2359
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.007	0.0193	0.0289
Plasmodium vivax	SET domain protein, putative	0.017	0.096	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0151	0.0816	0.0652
Schistosoma mansoni	chromobox protein	0.0251	0.1579	0.6338
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0047	0.0018	0.0026
Echinococcus granulosus	jumonji domain containing protein	0.0146	0.0779	0.1164
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0267	0.1704	0.2545
Brugia malayi	F/Y-rich N-terminus family protein	0.0052	0.0051	0.0055
Echinococcus multilocularis	jumonji domain containing protein	0.0146	0.0779	0.1164
Loa Loa (eye worm)	bromodomain containing protein	0.0101	0.0427	0.0485
Brugia malayi	jmjC domain containing protein	0.0345	0.23	0.2627
Echinococcus multilocularis	tumor protein p63	0.0918	0.6695	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0068	0.0175	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0734	0.0836
Brugia malayi	PHD-finger family protein	0.0142	0.0744	0.0847
Echinococcus multilocularis	neuropeptide s receptor	0.0542	0.3815	0.5698
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0047	0.0018	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0175	0.0197
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0193	1
Schistosoma mansoni	hypothetical protein	0.0087	0.0324	0.1244
Mycobacterium tuberculosis	Probable oxidoreductase	0.0107	0.0478	0.108
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0096	0.0395	0.7272
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0345	0.23	0.3435
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0068	0.0175	0.0262
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0047	0.0018	0.0026
Schistosoma mansoni	zinc finger protein	0.0111	0.0511	0.2002
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0107	0.0478	0.108
Echinococcus multilocularis	lysine specific demethylase 5A	0.0127	0.0633	0.0945
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.1185	0.8744	1
Echinococcus multilocularis	serotonin receptor	0.0158	0.0871	0.1301
Loa Loa (eye worm)	CHromoDomain protein family member	0.0052	0.0054	0.0058
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0345	0.23	0.3435
Schistosoma mansoni	zinc finger protein	0.0087	0.0324	0.1244
Schistosoma mansoni	cellular tumor antigen P53	0.0134	0.0686	0.2714
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0107	0.0478	1
Loa Loa (eye worm)	hypothetical protein	0.0403	0.2744	0.3136
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0047	0.0018	0.0026
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.007	0.0193	0.0065
Schistosoma mansoni	chromobox protein	0.0251	0.1579	0.6338
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.034	0.2263	0.338
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0267	0.1704	0.6845
Brugia malayi	Pre-SET motif family protein	0.017	0.096	0.1094
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0068	0.0175	0.0641
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.007	0.0193	0.0289
Trypanosoma cruzi	ISWI complex protein	0.0087	0.0324	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0164	0.0912	0.1362
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0097	0.0401	0.1555
Onchocerca volvulus		0.0349	0.2331	0.2194
Loa Loa (eye worm)	MH2 domain-containing protein	0.0107	0.0474	0.0539
Echinococcus granulosus	neuropeptide s receptor	0.0542	0.3815	0.5698
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0368	0.2482	0.2835
Brugia malayi	Heterochromatin protein 1	0.0251	0.1579	0.1803
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0128	0.064	0.0957
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0686	0.0781
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0068	0.0175	0.0197
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0158	0.0871	0.3463
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0097	0.0401	0.0599
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0096	0.0395	0.0785
Trichomonas vaginalis	conserved hypothetical protein	0.01	0.0419	0.0248
Echinococcus granulosus	peregrin	0.0119	0.0567	0.0846
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.017	0.096	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0105	0.0463	0.367
Brugia malayi	Pre-SET motif family protein	0.1185	0.8744	1
Plasmodium vivax	hypothetical protein, conserved	0.0105	0.0463	0.367
Echinococcus multilocularis	zinc finger protein	0.0111	0.0511	0.0763
Echinococcus multilocularis	chromodomain helicase DNA binding protein 4	0.0052	0.0054	0.0081
Trichomonas vaginalis	set domain proteins, putative	0.1349	1	1
Loa Loa (eye worm)	beta-lactamase	0.0068	0.0175	0.0197
Loa Loa (eye worm)	PHD-finger family protein	0.0117	0.0557	0.0634
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0267	0.1704	0.6845
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0047	0.0018	0.0026
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0193	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0018	0.0016
Echinococcus multilocularis	serotonin receptor	0.0158	0.0871	0.1301
Echinococcus granulosus	chromobox protein 1	0.0251	0.1579	0.2359
Brugia malayi	chromobox protein homolog 3	0.0141	0.0734	0.0836
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0175	0.0197
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0096	0.0395	0.0785
Loa Loa (eye worm)	hypothetical protein	0.018	0.104	0.1186
Echinococcus granulosus	lysine specific demethylase 5A	0.0138	0.0716	0.107
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0368	0.2482	1
Giardia lamblia	PHD finger protein 15	0.0105	0.0463	0.5
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0105	0.0463	0.1809
Brugia malayi	Bromodomain containing protein	0.0218	0.1329	0.1516
Brugia malayi	CHD4 protein	0.0052	0.0054	0.0058
Echinococcus granulosus	tumor protein p63	0.0918	0.6695	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0068	0.0175	0.0641
Plasmodium falciparum	phd finger protein, putative	0.0105	0.0463	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0433	0.2974	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0149	0.0798	0.091
Brugia malayi	Latrophilin receptor protein 2	0.0047	0.0018	0.0016
Schistosoma mansoni	bromodomain containing protein	0.036	0.2419	0.9747
Trichomonas vaginalis	chromobox protein, putative	0.0251	0.1579	0.1429
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0105	0.0463	0.0692
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0149	0.0798	0.091
Schistosoma mansoni	hypothetical protein	0.0117	0.0557	0.2189
Loa Loa (eye worm)	jmjC domain-containing protein	0.0217	0.1323	0.1509
Trichomonas vaginalis	chromobox protein, putative	0.0151	0.0816	0.0652
Brugia malayi	beta-lactamase family protein	0.0068	0.0175	0.0197
Trichomonas vaginalis	conserved hypothetical protein	0.01	0.0419	0.0248
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.0734	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0463	0.0526
Echinococcus granulosus	PHD finger protein rhinoceros	0.0105	0.0463	0.0692
Loa Loa (eye worm)	jmjC domain-containing protein	0.0138	0.0716	0.0816
Echinococcus multilocularis	GPCR, family 2	0.0047	0.0018	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0175	0.0197
Brugia malayi	hypothetical protein	0.0349	0.2331	0.2663
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0871	0.0992
Trichomonas vaginalis	conserved hypothetical protein	0.0141	0.0734	0.0569
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0096	0.0395	0.0785
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.0193	0.0714

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 10 nM	The compound was evaluated for intrinsic activity against human cloned 5-hydroxytryptamine 1B receptor	ChEMBL.	No reference
EC50 (binding)	= 10 nM	The compound was evaluated for intrinsic activity against human cloned 5-hydroxytryptamine 1B receptor	ChEMBL.	No reference
Ki (binding)	= 1.3 nM	Affinity for 5-hydroxytryptamine 1B receptor subtype	ChEMBL.	No reference
Ki (binding)	= 1.3 nM	Affinity for 5-hydroxytryptamine 1B receptor subtype	ChEMBL.	No reference
Ki (binding)	= 37 nM	Affinity for 5-hydroxytryptamine 1D receptor subtype	ChEMBL.	No reference
Ki (binding)	= 37 nM	Affinity for 5-hydroxytryptamine 1D receptor subtype	ChEMBL.	No reference
Ki (binding)	= 393 nM	Affinity for 5-hydroxytryptamine 1A receptor subtype	ChEMBL.	No reference
Ki (binding)	= 393 nM	Affinity for 5-hydroxytryptamine 1A receptor subtype	ChEMBL.	No reference

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: CHEMBL111302
PubChem: 19066162

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 180897