TDR Targets

Basic information

Technical information

TDR Targets ID: 536561
Name: 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-dia mine
MW: 201.657 | Formula: C7H12ClN5
H donors: 2 H acceptors: 3 LogP: 2.3 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCNc1nc(NCC)nc(n1)Cl
InChi: 1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChiKey: ODCWYMIRDDJXKW-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-chloro-6-(ethylamino)-s-triazin-2-yl]-ethyl-amine
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
Simazine
6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine
(4-chloro-6-ethylamino-s-triazin-2-yl)-ethyl-amine
119603-94-0
12764-71-5
39291-64-0
122-34-9
11141-20-1
KBioGR_001039
45659_RIEDEL
EINECS 204-535-2
Printrex
6-Chloro-N,N'-diethyl-2,4-diaminetriazine
Aquazine 90WDG
Caliber 90
Cekusan Gesatop
Chloro-4,6-bis( ethylamino)-s-triazine
Sim-Trol 4L
Princep 4G
Princep 4L
Princep 80W
KBio2_004868
Princep Caliber 90
1-Chloro-3,5-Bisethylamino-2,4,6-Triazine
2,4-Diamine-6-chloro-N,N'-diethyl-1,3,5-triazine
2-Chloro-4,6-bis(ethylamino)triazine
6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diyldiamine
2,4-Bis(aethylamino)-6-chlor-1,3,5-triazin [German]
AI3-51142
Azotop
BRN 0010895
Batazine FLO
Bitemol S 50
CCRIS 1469
Caswell No. 740
C11172
EPA Pesticide Chemical Code 080807
HSDB 1765
Herbatoxol S
Herbex (pesticide)
NSC 25999
Simatsin-neste
Simazine [ANSI:BSI:ISO]
Tafazine (VAN)
Yrodazin
cekuzinas
Spectrum_001809
c0254
Simazat
CAT
Spectrum5_001950
Spectrum4_000660
framed
PS58_SUPELCO
S2019_SIGMA
Simazine-ring-UL-14C
permazine
SPBio_001758
ST011993
Spectrum3_000820
KBioSS_002302
SPECTRUM330028
DivK1c_006496
KBio2_002300
NCGC00094524-03
1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-
1-Chloro-3,5-bis(ethylamino)-2,4,6-triazine
2,4-Bis(ethylamino)-6-chloro-s-triazine
2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine
2-Chloro-4,6-bis(ethylamino)-s-triazine
A 2079
Aktinit S
Amizine
Aquazine
Batazina
Bitemol
Bitemol S-50
CAT (herbicide)
CDT
CET
Cekuzina-S
G 27692
G-27692
Geigy 27,692
Gesapun
Gesaran
Gesatop
Gesatop 50
Gesatop-50
H 1803
Herbazin
Herbazin 50
Herbex
Herboxy
Hungazin DT
NSC25999
Premazine
Primatel S
Primatol S
Princep
Printop
Radocon
Radokor
Simadex
Simanex
Simazin
Simazine 80W
Symazine
Tafazine
Tafazine 50-W
Taphazine
Triazine A 384
W 6658
WLN: T6N CN ENJ BM2 DM2 FG
Zeapur
s-Triazine, 2-chloro-4,6-bis(ethylamino)-
Spectrum2_001879
ZINC00121575
Oprea1_871264
49089_SUPELCO
Enamine_005673
NCGC00094524-01
NCGC00094524-02
SpecPlus_000400
KBio2_007436
36588_RIEDEL
Simazin solution
IDI1_007908
KBio3_001819
KBio1_001440
2,4-bis(ethylamino)-6-chloro-1,3,5-triazine
6-chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine
6-chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine
CHEBI:27496
BSPBio_002319
Cekusima

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Cichorium intybus	Protoporphyrinogen IX oxidase	Starlite/ChEMBL	No references
Spinacia oleracea	Cytochrome b6-f complex subunit 4	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Candida albicans	protoporphyrinogen oxidase	Get druggable targets OG5_129066	All targets in OG5_129066
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	Get druggable targets OG5_129066	All targets in OG5_129066
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	Get druggable targets OG5_129066	All targets in OG5_129066
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Chlamydia trachomatis	protoporphyrinogen oxidase	Get druggable targets OG5_129066	All targets in OG5_129066
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Mycobacterium ulcerans	protoporphyrinogen oxidase	Get druggable targets OG5_129066	All targets in OG5_129066
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	protoporphyrinogen oxidase	Get druggable targets OG5_129066	All targets in OG5_129066
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	protoporphyrinogen oxidase	Get druggable targets OG5_129066	All targets in OG5_129066
Candida albicans	protoporphyrinogen oxidase, heme biosynthesis	Get druggable targets OG5_129066	All targets in OG5_129066
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K00231 protoporphyrinogen oxidase [EC1.3.3.4B], putative	Get druggable targets OG5_129066	All targets in OG5_129066
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Mycobacterium tuberculosis	Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO)	Get druggable targets OG5_129066	All targets in OG5_129066
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Toxoplasma gondii	protoporphyrinogen oxidase	Protoporphyrinogen IX oxidase	555 aa	457 aa	23.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	intermediate filament protein	0.0033	0.0704	0.1004
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.088	0.0536
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0158	0.6555	0.9435
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0558	0.2037
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0025	0.0363	0.1317
Leishmania major	cathepsin L-like protease	0.0067	0.2311	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.088	0.0536
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2311	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2311	1
Onchocerca volvulus		0.0036	0.088	0.6157
Schistosoma mansoni	jumonji domain containing protein	0.0138	0.5633	0.6931
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0158	0.6555	0.8068
Loa Loa (eye worm)	hypothetical protein	0.0036	0.088	0.2363
Echinococcus granulosus	peregrin	0.0029	0.0558	0.0794
Onchocerca volvulus		0.0033	0.0704	0.4914
Brugia malayi	Thioredoxin reductase	0.004	0.1039	0.1586
Mycobacterium ulcerans	beta-lactamase	0.0036	0.088	0.0666
Trypanosoma cruzi	major cysteine proteinase, putative	0.0053	0.1642	0.7098
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0966	0.1182
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.088	0.3789
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0025	0.0363	0.0439
Trichomonas vaginalis	esterase, putative	0.0036	0.088	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0061	0.204	0.8824
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0091	0.3412	0.3495
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0025	0.0363	0.1546
Schistosoma mansoni	calpain-7 (C02 family)	0.002	0.0135	0.0158
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0007	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0068	0.2372	0.6368
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.088	0.0666
Plasmodium vivax	hypothetical protein, conserved	0.0025	0.0363	0.1317
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.088	1
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0025	0.0363	0.1317
Loa Loa (eye worm)	hypothetical protein	0.0036	0.088	0.2363
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2311	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0026	0.0398	0.1068
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0704	0.0858
Loa Loa (eye worm)	calpain	0.002	0.0135	0.0364
Echinococcus granulosus	calpain 7 C02 family	0.002	0.0135	0.0184
Echinococcus multilocularis	calpain 7 (C02 family)	0.002	0.0135	0.0158
Schistosoma mansoni	calpain-7 (C02 family)	0.002	0.0135	0.0158
Echinococcus granulosus	protoporphyrinogen oxidase	0.0167	0.6947	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.088	0.1075
Echinococcus granulosus	thioredoxin glutathione reductase	0.004	0.1064	0.1523
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0018	0.0007	0.002
Entamoeba histolytica	hypothetical protein	0.0038	0.0966	1
Loa Loa (eye worm)	thioredoxin reductase	0.004	0.1039	0.279
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0007	0.0011
Echinococcus granulosus	lysine specific demethylase 5A	0.0097	0.3725	0.5358
Plasmodium falciparum	thioredoxin reductase	0.004	0.1039	0.3818
Echinococcus multilocularis	calpain 5	0.002	0.0135	0.0158
Loa Loa (eye worm)	jmjC domain-containing protein	0.0097	0.3725	1
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.088	0.3424
Loa Loa (eye worm)	calpain family protein 1	0.0068	0.2372	0.6368
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0398	0.1068
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1425	0.3825
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.088	0.1258
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0091	0.3412	0.3163
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0091	0.3412	0.3163
Loa Loa (eye worm)	fibroinase	0.0018	0.0007	0.002
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.088	0.1343
Leishmania major	UDP-galactopyranose mutase	0.0025	0.0363	0.1546
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.088	0.0666
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0363	0.0976
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0363	0.0976
Plasmodium vivax	hypothetical protein, conserved	0.0025	0.0363	0.1317
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0026	0.0398	0.0481
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.088	0.0536
Schistosoma mansoni	hypothetical protein	0.0038	0.0966	0.1182
Brugia malayi	jmjC domain containing protein	0.0026	0.0398	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0363	0.0976
Brugia malayi	hypothetical protein	0.0025	0.0363	0.0554
Loa Loa (eye worm)	calpain 5	0.002	0.0135	0.0364
Mycobacterium tuberculosis	Probable reductase	0.0091	0.3412	0.3163
Toxoplasma gondii	apocytochrome b, putative	0.0076	0.2711	1
Trypanosoma cruzi	trypanothione reductase, putative	0.004	0.1039	0.4481
Echinococcus multilocularis	thioredoxin glutathione reductase	0.004	0.1064	0.1302
Brugia malayi	jmjC domain containing protein	0.0097	0.3725	0.5683
Loa Loa (eye worm)	beta-lactamase	0.0036	0.088	0.2363
Brugia malayi	beta-lactamase family protein	0.0036	0.088	0.1343
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0072	0.2535	0.3115
Echinococcus multilocularis	peregrin	0.0029	0.0558	0.0679
Mycobacterium ulcerans	hypothetical protein	0.0036	0.088	0.0666
Schistosoma mansoni	phosphatidylserine receptor	0.0026	0.0398	0.0481
Brugia malayi	jmjC domain containing protein	0.0026	0.0398	0.0607
Leishmania major	hypothetical protein, conserved	0.0026	0.0398	0.1695
Schistosoma mansoni	hypothetical protein	0.0029	0.0558	0.0679
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.088	0.0536
Trypanosoma cruzi	kinesin, putative	0.002	0.0135	0.0556
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0026	0.0398	0.1695
Brugia malayi	calpain 5	0.002	0.0135	0.0207
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0704	0.189
Trypanosoma brucei	trypanothione reductase	0.004	0.1039	0.4156
Plasmodium vivax	JmjC domain containing protein	0.0026	0.0398	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0007	0.002
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0026	0.0398	0.0563
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.2311	1
Brugia malayi	calpain 7	0.002	0.0135	0.0207
Loa Loa (eye worm)	jmjC domain-containing protein	0.0026	0.0398	0.1068
Mycobacterium tuberculosis	Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO)	0.0167	0.6947	0.6832
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0558	0.1498
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0007	0.0011
Leishmania major	trypanothione reductase	0.004	0.1039	0.4481
Loa Loa (eye worm)	cytochrome b	0.0076	0.2711	0.7276
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.2017	0.5415
Schistosoma mansoni	amine oxidase	0.0025	0.0363	0.0439
Echinococcus multilocularis	lysine specific demethylase 5A	0.0097	0.3725	0.4581
Loa Loa (eye worm)	cysteine protease	0.0018	0.0007	0.002
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0101	0.3883	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0036	0.088	0.2363
Echinococcus multilocularis	JmjC domain containing protein 4	0.0026	0.0398	0.0481
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2311	1
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.002	0.0135	0.0556
Toxoplasma gondii	thioredoxin reductase	0.004	0.1039	0.3818
Loa Loa (eye worm)	hypothetical protein	0.0036	0.088	0.2363
Onchocerca volvulus		0.0036	0.088	0.6157
Brugia malayi	calpain family protein 1	0.0068	0.2372	0.3619
Echinococcus granulosus	jumonji domain containing 1A	0.0026	0.0398	0.0563
Toxoplasma gondii	cytochrome b	0.0076	0.2711	1
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.1095	0.134
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.0135	0.0556
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0091	0.3412	0.3163
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0363	0.0976
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0966	0.1382
Echinococcus granulosus	lysine specific demethylase 6a	0.0026	0.0398	0.0563
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.0135	0.0556
Plasmodium vivax	cytochrome b	0.0076	0.2711	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0026	0.0398	0.1068
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0135	0.0556
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0101	0.3883	0.4146
Echinococcus granulosus	lamin	0.0033	0.0704	0.1004
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0072	0.2535	0.3642
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0558	0.2037
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0558	0.0679
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0026	0.0398	0.1444
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.0135	0.0556
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.088	1
Plasmodium vivax	glutathione reductase, putative	0.004	0.1039	0.3818
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0704	0.189
Onchocerca volvulus		0.0036	0.088	0.6157
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0025	0.0363	0.0513
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0558	0.1498
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0007	0.0011
Schistosoma mansoni	Mername-AA248 (C02 family)	0.002	0.0135	0.0158
Echinococcus multilocularis	hypothetical protein	0.002	0.0135	0.0158
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0025	0.0363	0.0513
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0558	0.2037
Onchocerca volvulus		0.0033	0.0704	0.4914
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0097	0.3725	0.4581
Echinococcus granulosus	phd:f box containing protein	0.0026	0.0398	0.0563
Toxoplasma gondii	histone lysine-specific demethylase	0.0025	0.0363	0.1317
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.088	0.0536
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0135	0.0556
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0007	0.0011
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2311	1
Plasmodium vivax	calpain, putative	0.002	0.0135	0.0473
Onchocerca volvulus		0.0025	0.0363	0.2512
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.088	1
Echinococcus multilocularis	lamin	0.0033	0.0704	0.0858
Mycobacterium tuberculosis	Conserved protein	0.0036	0.088	0.0536
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.088	0.0536
Echinococcus multilocularis	lamin dm0	0.0033	0.0704	0.0858
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.088	0.3228
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.004	0.1039	0.0702
Echinococcus multilocularis	musashi	0.0033	0.0704	0.0858
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0091	0.3412	0.3163
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0192	0.8123	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2311	1
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0007	0.0011
Mycobacterium tuberculosis	Conserved protein	0.0036	0.088	0.0536
Trypanosoma cruzi	kinesin, putative	0.002	0.0135	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0363	0.0976
Echinococcus granulosus	calpain A	0.0072	0.2535	0.3642
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0192	0.8123	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0966	0.1182
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0026	0.0398	0.1444
Brugia malayi	calpain family protein 1	0.0068	0.2372	0.3619
Schistosoma mansoni	jumonji domain containing protein	0.0026	0.0398	0.0481
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0025	0.0363	0.0439
Echinococcus multilocularis	jumonji domain containing 1A	0.0026	0.0398	0.0481
Loa Loa (eye worm)	hypothetical protein	0.0067	0.2305	0.6187
Plasmodium falciparum	cytochrome b	0.0076	0.2711	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0135	0.0556
Onchocerca volvulus	Alhambra homolog	0.0029	0.0558	0.3886
Brugia malayi	jmjC domain containing protein	0.0026	0.0398	0.0607
Brugia malayi	SWIRM domain containing protein	0.0025	0.0363	0.0554
Leishmania major	kinesin, putative	0.002	0.0135	0.0556
Loa Loa (eye worm)	glutathione reductase	0.004	0.1039	0.279
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0072	0.2535	0.3115
Toxoplasma gondii	ABC1 family protein	0.0036	0.088	0.3228
Echinococcus granulosus	calpain	0.002	0.0135	0.0184
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.088	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.088	1
Entamoeba histolytica	calpain large subunit domain III containing protein	0.002	0.0135	0.1335
Mycobacterium ulcerans	lipase LipD	0.0036	0.088	0.0666
Trypanosoma cruzi	cruzipain precursor, putative	0.0067	0.2311	1
Echinococcus multilocularis		0.0025	0.0363	0.0439
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.2311	1
Schistosoma mansoni	protein phosphatase 2C	0.0026	0.0398	0.0481
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0363	0.0976
Echinococcus multilocularis	calpain A	0.0072	0.2535	0.3115
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0704	0.1074
Schistosoma mansoni	cytochrome b	0.0076	0.2711	0.3331
Brugia malayi	beta-lactamase	0.0036	0.088	0.1343
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0558	0.2037
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0192	0.8123	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0135	0.0556
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0025	0.0363	0.1546
Mycobacterium tuberculosis	Conserved protein	0.0036	0.088	0.0536
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0135	0.0556
Brugia malayi	jmjC domain containing protein	0.0158	0.6555	1
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0192	0.8123	0.5
Brugia malayi	PHD-finger family protein	0.0029	0.0558	0.0852
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.2311	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.088	0.1075
Entamoeba histolytica	hypothetical protein	0.0038	0.0966	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0068	0.2372	0.2914
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0025	0.0363	0.1317
Brugia malayi	intermediate filament protein	0.0033	0.0704	0.1074
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0097	0.3725	0.4581
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0026	0.0398	0.1695
Mycobacterium tuberculosis	Probable dehydrogenase	0.0091	0.3412	0.3163
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2311	1
Plasmodium falciparum	glutathione reductase	0.004	0.1039	0.3818
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2311	1
Brugia malayi	glutathione reductase	0.004	0.1039	0.1586
Loa Loa (eye worm)	hypothetical protein	0.0036	0.088	0.2363
Plasmodium vivax	thioredoxin reductase, putative	0.004	0.1039	0.3818
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0704	0.189
Brugia malayi	amine oxidase, flavin-containing family protein	0.0025	0.0363	0.0554
Brugia malayi	cytochrome b	0.0076	0.2711	0.4136
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0026	0.0398	0.1444
Schistosoma mansoni	lamin	0.0033	0.0704	0.0858
Schistosoma mansoni	phd/f-box containing protein	0.0026	0.0398	0.0481
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2311	1
Echinococcus granulosus	calpain A	0.002	0.0135	0.0184
Schistosoma mansoni	calpain (C02 family)	0.002	0.0135	0.0158
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0025	0.0363	0.1317
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0072	0.2535	0.3115
Loa Loa (eye worm)	ctsf protein	0.0018	0.0007	0.002
Loa Loa (eye worm)	hypothetical protein	0.0036	0.088	0.2363
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0101	0.3883	0.3652
Echinococcus multilocularis	lysine specific demethylase 6a	0.0026	0.0398	0.0481
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0026	0.0398	0.1206
Schistosoma mansoni	cytochrome b	0.0076	0.2711	0.3331
Giardia lamblia	PHD finger protein 15	0.0029	0.0558	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2311	1
Schistosoma mansoni	lamin	0.0033	0.0704	0.0858
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0025	0.0363	0.1317
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.088	0.2363
Leishmania major	hypothetical protein, conserved	0.0036	0.088	0.3789
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0558	0.0794
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1425	0.3825
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.088	0.1075
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.088	0.3789
Brugia malayi	hypothetical protein	0.0038	0.0966	0.1474
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0135	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0676	0.1815
Schistosoma mansoni	calpain C (C02 family)	0.002	0.0135	0.0158
Brugia malayi	Bromodomain containing protein	0.0029	0.0558	0.0852
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.1095	0.1567
Loa Loa (eye worm)	hypothetical protein	0.0068	0.2372	0.6368
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0398	0.1068
Brugia malayi	jmjC domain containing protein	0.0026	0.0398	0.0607
Echinococcus granulosus	lamin dm0	0.0033	0.0704	0.1004
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0558	0.0679
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.088	0.0536
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0018	0.0007	0.002
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.2311	1
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0192	0.8123	1
Brugia malayi	beta-lactamase family protein	0.0036	0.088	0.1343
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0135	0.0556
Echinococcus multilocularis	phd:f box containing protein	0.0026	0.0398	0.0481
Brugia malayi	Papain family cysteine protease containing protein	0.0018	0.0007	0.0011
Entamoeba histolytica	protein kinase, putative	0.002	0.0135	0.1335
Echinococcus granulosus	JmjC domain containing protein 4	0.0026	0.0398	0.0563
Leishmania major	cathepsin L-like protease	0.0067	0.2311	1
Onchocerca volvulus		0.0048	0.1425	1
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0026	0.0398	0.0481
Leishmania major	cathepsin L-like protease	0.0067	0.2311	1
Plasmodium falciparum	protoporphyrinogen oxidase	0.0025	0.0363	0.1317
Echinococcus multilocularis	calpain	0.002	0.0135	0.0158
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0135	0.0556
Schistosoma mansoni	amine oxidase	0.0025	0.0363	0.0439
Loa Loa (eye worm)	calpain family protein 1	0.0048	0.1425	0.3825
Entamoeba histolytica	hypothetical protein	0.0038	0.0966	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0101	0.3883	0.3652
Echinococcus multilocularis	calpain family protein 1, d	0.0048	0.1425	0.1747
Wolbachia endosymbiont of Brugia malayi	cytochrome b subunit of the bc complex	0.0076	0.2711	0.5
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0135	0.0556
Entamoeba histolytica	hypothetical protein	0.0038	0.0966	1
Echinococcus granulosus	calpain 5	0.002	0.0135	0.0184
Echinococcus granulosus	cytochrome B	0.0076	0.2711	0.3896

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.07	Inhibition of photosystem-mediated photosynthetic electron transport in Scenedesmus acutus assessed as reduction of oxygen evolution	ChEMBL.	No reference
IC50 (binding)	= 6.28	Inhibition of photosynthetic electron transport in Spinacia oleracea (spinach) thylakoids using oxygen electrode by Boger method	ChEMBL.	No reference
IC50 (binding)	= 6.28	Inhibition of photosynthetic electron transport in Spinacia oleracea leaf thylakoids assessed as oxygen formation	ChEMBL.	No reference
IC50 (binding)	= 6.28	Inhibition of photosynthetic electron transport in Spinacia oleracea (spinach) thylakoids by cel free system	ChEMBL.	No reference
IC50 (binding)	= 6.28	Inhibition of photosystem-mediated photosynthetic electron transport in Spinacia oleracea (spinach) leaf thylakoid assessed as reduction of oxygen evolution	ChEMBL.	No reference
Inhibition (ADMET)	= 89.70640012 %	Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	ChEMBL.	23571415
Inhibition (ADMET)	= 92.02379054 %	Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	ChEMBL.	23571415
Potency (functional)	= 0.0022 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	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

Search by CAS
ChEMBL: CHEMBL1605837
PubChem: 5216

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 536561