TDR Targets

Basic information

Technical information

TDR Targets ID: 828496
Name: 4-[[(2-bromophenyl)methylamino]methyl]-2,5-di methyl-1-[(2-methylphenyl)methyl]pyrrole-3-ca rboxylic acid
MW: 441.361 | Formula: C23H25BrN2O2
H donors: 2 H acceptors: 2 LogP: 2.22 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccccc1Cn1c(C)c(c(c1C)C(=O)O)CNCc1ccccc1Br
InChi: 1S/C23H25BrN2O2/c1-15-8-4-5-10-19(15)14-26-16(2)20(22(17(26)3)23(27)28)13-25-12-18-9-6-7-11-21(18)24/h4-11,25H,12-14H2,1-3H3,(H,27,28)
InChiKey: AITQJVVFVMMMDF-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

4-[[(2-bromophenyl)methylamino]methyl]-2,5-dimethyl-1-[(2-methylphenyl)methyl]-3-pyrrolecarboxylic acid
4-[[(2-bromobenzyl)amino]methyl]-2,5-dimethyl-1-(2-methylbenzyl)pyrrole-3-carboxylic acid

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	histone deacetylase, putative	0.0172	0.3744	0.3573
Brugia malayi	Cathepsin L-like precursor	0.0071	0.0676	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1616	0.1616
Entamoeba histolytica	cysteine proteinase, putative	0.0071	0.0676	0.1547
Leishmania major	cathepsin L-like protease	0.0071	0.0676	0.0421
Plasmodium vivax	histone deacetylase, putative	0.0274	0.6871	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0071	0.0676	0.1547
Brugia malayi	histone deacetylase 11	0.0274	0.6871	0.6871
Onchocerca volvulus		0.0071	0.0676	0.4181
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0116	0.2044	0.2967
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0377	1	1
Leishmania major	cathepsin L-like protease	0.0071	0.0676	0.0421
Trypanosoma cruzi	cysteine peptidase, putative	0.0071	0.0676	0.0676
Echinococcus multilocularis	histone deacetylase	0.0172	0.3744	0.5885
Loa Loa (eye worm)	fibroinase	0.0071	0.0676	0.0676
Brugia malayi	Cathepsin L-like precursor	0.0071	0.0676	0.0676
Toxoplasma gondii	histone deacetylase HDAC4	0.0274	0.6871	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0071	0.0676	0.1547
Trichomonas vaginalis	histone deacetylase, putative	0.0192	0.4366	1
Brugia malayi	histone deacetylase 1 (HD1)	0.0192	0.4366	0.4366
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0071	0.0676	0.1547
Schistosoma mansoni	histone deacetylase 4 5	0.0172	0.3744	0.6097
Loa Loa (eye worm)	hypothetical protein	0.007	0.0634	0.0634
Leishmania major	histone deacetylase, putative	0.0172	0.3744	0.3573
Toxoplasma gondii	histone deacetylase HDAC5	0.0102	0.1616	0.2044
Trypanosoma brucei	histone deacetylase 4	0.0172	0.3744	0.3573
Mycobacterium ulcerans	short chain dehydrogenase	0.0305	0.7826	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0071	0.0676	0.1547
Trypanosoma cruzi	cruzipain precursor, putative	0.0071	0.0676	0.0676
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0192	0.4366	1
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0116	0.2044	0.1826
Echinococcus multilocularis	histone deacetylase 1	0.0192	0.4366	0.6953
Echinococcus multilocularis	histone deacetylase 6	0.0172	0.3744	0.5885
Brugia malayi	Histone deacetylase family protein	0.0172	0.3744	0.3744
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0071	0.0676	0.1547
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0676	0.0421
Schistosoma mansoni	histone deacetylase hda2	0.0178	0.393	0.64
Echinococcus granulosus	histone deacetylase	0.0172	0.3744	0.6097
Echinococcus granulosus	histone deacetylase 8	0.0102	0.1616	0.2632
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0821	0.0821
Brugia malayi	Histone deacetylase family protein	0.0172	0.3744	0.3744
Echinococcus multilocularis	cathepsin L cysteine protease	0.0071	0.0676	0.0618
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0071	0.0676	0.1547
Onchocerca volvulus		0.0071	0.0676	0.4181
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0071	0.0676	0.1547
Trypanosoma cruzi	histone deacetylase 1, putative	0.0192	0.4366	0.4366
Loa Loa (eye worm)	hypothetical protein	0.0193	0.4381	0.4381
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0059	0.0315	0.0075
Loa Loa (eye worm)	ctsf protein	0.0071	0.0676	0.0676
Loa Loa (eye worm)	hypothetical protein	0.025	0.614	0.614
Schistosoma mansoni	histone deacetylase hda2	0.0102	0.1616	0.2632
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0661	0.0661
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0058	0.0266	0.0433
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0071	0.0676	0.0618
Plasmodium falciparum	histone deacetylase 2	0.0172	0.3744	0.8315
Trypanosoma cruzi	histone deacetylase, putative	0.0172	0.3744	0.3744
Onchocerca volvulus	Cathepsin L homolog	0.0071	0.0676	0.4181
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0071	0.0676	0.1547
Schistosoma mansoni	histone deacetylase 1 2 3	0.0102	0.1616	0.2632
Trypanosoma cruzi	histone deacetylase, putative	0.0172	0.3744	0.3744
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0071	0.0676	0.1547
Echinococcus multilocularis	serotonin receptor	0.025	0.614	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3073	0.3073
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0071	0.0676	0.1547
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0676	0.0421
Entamoeba histolytica	cysteine protease, putative	0.0071	0.0676	0.1547
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0071	0.0676	0.11
Schistosoma mansoni	histone deacetylase	0.0192	0.4366	0.7109
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.015	0.3073	0.5005
Leishmania major	histone deacetylase, putative	0.0192	0.4366	0.4211
Brugia malayi	Cathepsin L-like precursor	0.0071	0.0676	0.0676
Entamoeba histolytica	cysteine proteinase, putative	0.0071	0.0676	0.1547
Leishmania major	cathepsin L-like protease	0.0071	0.0676	0.0421
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0676	0.0421
Echinococcus multilocularis	cysteine protease	0.0071	0.0676	0.0618
Plasmodium vivax	histone deacetylase 2, putative	0.0172	0.3744	0.4952
Leishmania major	cathepsin L-like protease	0.0071	0.0676	0.0421
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0116	0.2044	0.1826
Plasmodium falciparum	histone deacetylase 1	0.0192	0.4366	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.015	0.3073	0.3073
Echinococcus granulosus	cathepsin b	0.015	0.3073	0.5005
Trypanosoma cruzi	histone deacetylase, putative	0.0102	0.1616	0.1616
Brugia malayi	prolyl oligopeptidase family protein	0.0059	0.0315	0.0315
Loa Loa (eye worm)	histone deacetylase 7A	0.0172	0.3744	0.3744
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0058	0.0266	0.061
Loa Loa (eye worm)	histone deacetylase 3	0.0192	0.4366	0.4366
Giardia lamblia	Histone deacetylase	0.0192	0.4366	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0071	0.0676	0.0676
Loa Loa (eye worm)	histone deacetylase 11	0.0274	0.6871	0.6871
Echinococcus multilocularis	cathepsin L cysteine protease	0.0071	0.0676	0.0618
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0071	0.0676	0.0676
Plasmodium vivax	histone deacetylase, putative	0.0172	0.3744	0.4952
Echinococcus granulosus	biogenic amine 5HT receptor	0.025	0.614	1
Brugia malayi	Cathepsin L-like precursor	0.0071	0.0676	0.0676
Trypanosoma cruzi	histone deacetylase 1, putative	0.0192	0.4366	0.4366
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0058	0.0266	0.0266
Brugia malayi	Cathepsin L-like precursor	0.0071	0.0676	0.0676
Onchocerca volvulus		0.0071	0.0676	0.4181
Brugia malayi	Histone deacetylase 1	0.0192	0.4366	0.4366
Onchocerca volvulus		0.0071	0.0676	0.4181
Echinococcus granulosus	cathepsin b	0.015	0.3073	0.5005
Schistosoma mansoni	biogenic amine (5HT) receptor	0.025	0.614	1
Echinococcus granulosus	histone deacetylase 6	0.0178	0.393	0.64
Onchocerca volvulus		0.0071	0.0676	0.4181
Brugia malayi	Papain family cysteine protease containing protein	0.0071	0.0676	0.0676
Echinococcus multilocularis	histone deacetylase 3	0.0192	0.4366	0.6953
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0071	0.0676	0.1547
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0071	0.0676	0.1547
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0676	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0192	0.4366	0.4366
Plasmodium vivax	histone deacetylase 1, putative	0.0192	0.4366	0.5956
Trypanosoma brucei	histone deacetylase 1	0.0192	0.4366	0.4211
Leishmania major	cathepsin L-like protease	0.0071	0.0676	0.0421
Brugia malayi	prolyl oligopeptidase family protein	0.0116	0.2044	0.2044
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0676	0.0421
Trypanosoma cruzi	cysteine peptidase, putative	0.0071	0.0676	0.0676
Trypanosoma cruzi	histone deacetylase, putative	0.0102	0.1616	0.1616
Brugia malayi	histone deacetylase 3 (HD3)	0.0192	0.4366	0.4366
Leishmania major	C-8 sterol isomerase-like protein	0.0377	1	1
Onchocerca volvulus		0.0071	0.0676	0.4181
Mycobacterium tuberculosis	Probable oxidoreductase	0.0305	0.7826	0.5
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0071	0.0676	0.0676
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0676	0.0421
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0377	1	1
Echinococcus multilocularis	cathepsin b	0.015	0.3073	0.4735
Schistosoma mansoni	cathepsin F (C01 family)	0.0071	0.0676	0.11
Plasmodium falciparum	histone deacetylase, putative	0.0172	0.3744	0.8315
Loa Loa (eye worm)	hypothetical protein	0.0377	1	1
Loa Loa (eye worm)	prolyl oligopeptidase	0.0059	0.0315	0.0315
Toxoplasma gondii	histone deacetylase HDAC2	0.0192	0.4366	0.6207
Echinococcus multilocularis	serotonin receptor	0.025	0.614	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0071	0.0676	0.1547
Leishmania major	cysteine peptidase A (CPA)	0.0071	0.0676	0.0421
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0071	0.0676	0.1547
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0676	0.0421
Trichomonas vaginalis	histone deacetylase, putative	0.0192	0.4366	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0676	0.0421
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0676	0.0421
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0059	0.0315	0.0514
Entamoeba histolytica	histone deacetylase, putative	0.0192	0.4366	1
Loa Loa (eye worm)	histone deacetylase	0.0172	0.3744	0.3744
Trypanosoma brucei	histone deacetylase 2	0.0102	0.1616	0.1387
Brugia malayi	cathepsin B-like cysteine proteinase	0.015	0.3073	0.3073
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.015	0.3073	0.5005
Brugia malayi	Cathepsin L-like precursor	0.0071	0.0676	0.0676
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0071	0.0676	0.1547
Trypanosoma cruzi	cysteine peptidase, putative	0.0071	0.0676	0.0676
Leishmania major	cathepsin L-like protease	0.0071	0.0676	0.0421
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.015	0.3073	0.5005
Loa Loa (eye worm)	histone deacetylase 1	0.0192	0.4366	0.4366
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0071	0.0676	0.1547
Trichomonas vaginalis	histone deacetylase, putative	0.0192	0.4366	1
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0116	0.2044	0.1826
Onchocerca volvulus	Cathepsin L homolog	0.0071	0.0676	0.4181
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0071	0.0676	0.1547
Echinococcus granulosus	histone deacetylase 6	0.0172	0.3744	0.6097
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0071	0.0676	0.1547
Echinococcus granulosus	histone deacetylase 3	0.0192	0.4366	0.7109
Toxoplasma gondii	cathepsin CPL	0.0071	0.0676	0.062
Toxoplasma gondii	histone deacetylase HDAC1	0.0172	0.3744	0.5265
Echinococcus granulosus	histone deacetylase 1	0.0192	0.4366	0.7109
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0071	0.0676	0.1547
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.015	0.3073	0.5005
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0102	0.1616	1
Trypanosoma brucei	histone deacetylase 3	0.0172	0.3744	0.3573
Loa Loa (eye worm)	cysteine protease	0.0071	0.0676	0.0676
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0059	0.0315	0.1952
Loa Loa (eye worm)	cathepsin B	0.0058	0.0266	0.0266
Schistosoma mansoni	histone deacetylase 4 5	0.0172	0.3744	0.6097
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0116	0.2044	0.2044
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0116	0.2044	0.2044
Trypanosoma brucei	histone deacetylase, putative	0.0172	0.3744	0.3573
Leishmania major	histone deacetylase, putative	0.0192	0.4366	0.4211
Leishmania major	cathepsin L-like protease	0.0071	0.0676	0.0421
Echinococcus multilocularis	histone deacetylase 6	0.0172	0.3744	0.5885
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0116	0.2044	0.3329
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0192	0.4366	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0071	0.0676	0.1547
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0071	0.0676	0.1547
Trichomonas vaginalis	histone deacetylase, putative	0.0192	0.4366	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0071	0.0676	0.1547
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0059	0.0315	0.0514
Schistosoma mansoni	histone deacetylase	0.0192	0.4366	0.7109
Trypanosoma cruzi	histone deacetylase, putative	0.0172	0.3744	0.3744
Onchocerca volvulus		0.0071	0.0676	0.4181
Trichomonas vaginalis	histone deacetylase, putative	0.0192	0.4366	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0071	0.0676	0.0618
Echinococcus granulosus	histone deacetylase 7	0.0172	0.3744	0.6097
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0071	0.0676	0.11
Leishmania major	cathepsin L-like protease	0.0071	0.0676	0.0421
Echinococcus multilocularis	cysteine protease	0.0071	0.0676	0.0618
Onchocerca volvulus	Cathepsin F homolog	0.0071	0.0676	0.4181
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0071	0.0676	0.1547
Loa Loa (eye worm)	hypothetical protein	0.025	0.614	0.614
Echinococcus multilocularis	cathepsin b	0.015	0.3073	0.4735
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0192	0.4366	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.3762	0.3762
Echinococcus multilocularis	histone deacetylase 7	0.0172	0.3744	0.5885
Echinococcus multilocularis	histone deacetylase 8	0.0102	0.1616	0.2233
Echinococcus granulosus	histone deacetylase 6	0.0172	0.3744	0.6097
Trichomonas vaginalis	histone deacetylase, putative	0.0192	0.4366	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0676	0.0421
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0071	0.0676	0.1547
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0676	0.0421
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0676	0.0421
Echinococcus granulosus	cathepsin l1	0.0071	0.0676	0.11
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0116	0.2044	0.3329
Toxoplasma gondii	histone deacetylase HDAC3	0.0192	0.4366	0.6207
Schistosoma mansoni	cathepsin F (C01 family)	0.0071	0.0676	0.11
Echinococcus multilocularis	histone deacetylase 6	0.0178	0.393	0.6205
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0071	0.0676	0.1547

Activities

No activities found for this compound.

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.

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External resources for this compound

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 828496