TDR Targets

Basic information

Technical information

TDR Targets ID: 154737
Name: 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-p iperidin-4-yl-3,4-dihydroquinazolin-2-one
MW: 486.821 | Formula: C25H22Cl3N3O
H donors: 2 H acceptors: 1 LogP: 5.86 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1N1C(=O)NCc2c1cc(cc2c1ccccc1Cl)C1CCNCC1)Cl
InChi: 1S/C25H22Cl3N3O/c26-20-5-2-1-4-17(20)18-12-16(15-8-10-29-11-9-15)13-23-19(18)14-30-25(32)31(23)24-21(27)6-3-7-22(24)28/h1-7,12-13,15,29H,8-11,14H2,(H,30,32)
InChiKey: OYFILJIGXDGSAR-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

5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(4-piperidyl)-3,4-dihydroquinazolin-2-one
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(4-piperidinyl)-3,4-dihydroquinazolin-2-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mitogen-activated protein kinase 14	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Schistosoma japonicum	ko:K04441 p38 MAP kinase, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Brugia malayi	P38 map kinase family protein 2	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma congolense	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Candida albicans	MAP kinase involved in osmoregulation	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma brucei gambiense	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus granulosus	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania infantum	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania donovani	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania mexicana	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Candida albicans	MAP kinase involved in osmoregulation	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania braziliensis	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus granulosus	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 14	360 aa	336 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	BC026374 protein (S09 family)	0.0327	0.1649	0.1648
Loa Loa (eye worm)	carboxylesterase	0.1935	1	1
Brugia malayi	Carboxylesterase family protein	0.0327	0.1649	0.1649
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0017	0.004	0.0039
Brugia malayi	Carboxylesterase family protein	0.0327	0.1649	0.1649
Brugia malayi	hypothetical protein	0.0136	0.0658	0.0658
Trichomonas vaginalis	taga, putative	0.0023	0.0069	0.0413
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0023	0.0069	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0318	0.1601	0.1601
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0001	0.0000008534
Echinococcus multilocularis	carboxylesterase 5A	0.1935	1	1
Echinococcus granulosus	smad	0.0017	0.004	0.0039
Toxoplasma gondii	histone lysine-specific demethylase	0.0136	0.0658	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0069	0.0413
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.1798	0.9286	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0069	0.0413
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0327	0.1649	0.1714
Echinococcus granulosus	mitogen activated protein kinase 14	0.0152	0.0741	0.074
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0023	0.0069	0.1035
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0067	0.0067
Entamoeba histolytica	P-glycoprotein-2	0.0023	0.0069	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0017	0.004	0.004
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0136	0.0658	1
Brugia malayi	SWIRM domain containing protein	0.0136	0.0658	0.0658
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0017	0.004	0.0039
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0327	0.1649	0.1648
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0069	0.0413
Echinococcus multilocularis	para nitrobenzyl esterase	0.0327	0.1649	0.1648
Giardia lamblia	Replication factor C, subunit 1	0.001	0.0001	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0327	0.1649	0.1648
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0069	0.0413
Echinococcus multilocularis	multidrug resistance protein 1	0.0016	0.0033	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0397	0.0397
Onchocerca volvulus		0.0327	0.1649	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.0017	0.004	0.0039
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0023	0.0069	0.0068
Trichomonas vaginalis	replication factor C large subunit, putative	0.001	0.0001	0.0000008534
Loa Loa (eye worm)	hypothetical protein	0.001	0.0001	0.0001
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0327	0.1649	0.1714
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1934	0.9994	1
Brugia malayi	MH1 domain containing protein	0.0017	0.004	0.004
Loa Loa (eye worm)	multidrug resistance protein 3	0.0023	0.0069	0.0069
Echinococcus granulosus	multidrug resistance protein 1	0.0023	0.0069	0.0068
Schistosoma mansoni	gliotactin	0.0327	0.1649	0.1648
Echinococcus multilocularis	multidrug resistance protein 1	0.0023	0.0069	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0658	0.0658
Mycobacterium ulcerans	oxidoreductase	0.0136	0.0658	0.0658
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0069	0.0413
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.0741	0.074
Loa Loa (eye worm)	hypothetical protein	0.1935	1	1
Loa Loa (eye worm)	hypothetical protein	0.0327	0.1649	0.1649
Loa Loa (eye worm)	MH2 domain-containing protein	0.0251	0.1255	0.1255
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0152	0.0741	0.0741
Echinococcus granulosus	multidrug resistance protein 1	0.0016	0.0033	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0658	0.0658
Loa Loa (eye worm)	hypothetical protein	0.001	0.0001	0.0001
Trichomonas vaginalis	spcc417.12 protein, putative	0.0327	0.1649	1
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.0741	1
Echinococcus multilocularis		0.0136	0.0658	0.0657
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0136	0.0658	0.0657
Leishmania major	UDP-galactopyranose mutase	0.0136	0.0658	0.8771
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0152	0.0741	1
Onchocerca volvulus		0.0327	0.1649	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0001	0.0001
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1935	1	1
Brugia malayi	DKFZp564C0469 protein	0.001	0.0001	0.0001
Onchocerca volvulus		0.0327	0.1649	1
Echinococcus multilocularis	acetylcholinesterase	0.1935	1	1
Brugia malayi	hypothetical protein	0.001	0.0001	0.0001
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0136	0.0658	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0017	0.004	0.004
Onchocerca volvulus		0.0327	0.1649	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0658	0.0658
Loa Loa (eye worm)	hypothetical protein	0.1935	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0023	0.0069	0.0068
Schistosoma mansoni	smdr2	0.0023	0.0069	0.0068
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0069	0.0413
Loa Loa (eye worm)	hypothetical protein	0.0327	0.1649	0.1649
Entamoeba histolytica	P-glycoprotein-1	0.0023	0.0069	1
Schistosoma mansoni	smad	0.0017	0.004	0.0039
Trichomonas vaginalis	ABC transporter, putative	0.0023	0.0069	0.0413
Entamoeba histolytica	P-glyco protein 6, putative	0.0023	0.0069	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0069	0.0413
Plasmodium vivax	hypothetical protein, conserved	0.0136	0.0658	1
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.0001	0.00000014066
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0136	0.0658	0.0657
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0023	0.0069	0.0413
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0023	0.0069	0.0413
Echinococcus granulosus	multidrug resistance protein 1	0.0016	0.0033	0.0032
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0136	0.0658	0.0657
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0152	0.0741	1
Mycobacterium tuberculosis	Possible oxidoreductase	0.0136	0.0658	0.0639
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0023	0.0069	0.0413
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0069	0.0413
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0136	0.0658	1
Schistosoma mansoni	amine oxidase	0.0136	0.0658	0.0657
Loa Loa (eye worm)	hypothetical protein	0.0327	0.1649	0.1649
Brugia malayi	hypothetical protein	0.001	0.0001	0.0001
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0069	0.0413
Mycobacterium ulcerans	carboxylesterase, LipT	0.0327	0.1649	0.1649
Entamoeba histolytica	P-glycoprotein-2	0.0023	0.0069	1
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0136	0.0658	1
Brugia malayi	MH2 domain containing protein	0.0017	0.004	0.004
Echinococcus multilocularis	neuroligin	0.0327	0.1649	0.1648
Brugia malayi	hypothetical protein	0.0318	0.1601	0.1601
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0069	0.0413
Plasmodium vivax	multidrug resistance protein 1, putative	0.0023	0.0069	0.1035
Plasmodium vivax	hypothetical protein, conserved	0.0136	0.0658	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0658	0.0658
Brugia malayi	Pax transcription activation domain interacting protein	0.001	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0658	0.0658
Echinococcus granulosus	multidrug resistance protein 1	0.0023	0.0069	0.0068
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0136	0.0658	0.8884
Echinococcus multilocularis	Smad4	0.0017	0.004	0.0039
Loa Loa (eye worm)	carboxylesterase	0.0327	0.1649	0.1649
Echinococcus granulosus	acetylcholinesterase	0.1935	1	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0327	0.1649	0.1648
Echinococcus multilocularis	replication factor c subunit 1	0.001	0.0001	0.00000014066
Schistosoma mansoni	multidrug resistance protein	0.0023	0.0069	0.0068
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0327	0.1649	0.1648
Echinococcus multilocularis	smad	0.0017	0.004	0.0039
Loa Loa (eye worm)	hypothetical protein	0.001	0.0001	0.0001
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0136	0.0658	0.8884
Echinococcus multilocularis	acetylcholinesterase	0.1935	1	1
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.0741	0.074
Brugia malayi	MH1 domain containing protein	0.0017	0.004	0.004
Entamoeba histolytica	P-glycoprotein-5	0.0023	0.0069	1
Brugia malayi	Carboxylesterase family protein	0.0327	0.1649	0.1649
Loa Loa (eye worm)	hypothetical protein	0.001	0.0001	0.0001
Brugia malayi	hypothetical protein	0.0327	0.1649	0.1649
Schistosoma mansoni	Smad4	0.0017	0.004	0.0039
Entamoeba histolytica	P-glycoprotein-2, putative	0.0023	0.0069	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1934	0.9994	1
Schistosoma mansoni	smad1 5 8 and	0.0017	0.004	0.0039
Trichomonas vaginalis	ABC transporter, putative	0.0023	0.0069	0.0413
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0136	0.0658	0.0657
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0136	0.0658	1
Mycobacterium ulcerans	dehydrogenase	0.0136	0.0658	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0327	0.1649	0.1649
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0023	0.0069	0.0068
Trichomonas vaginalis	abcb9, putative	0.0023	0.0069	0.0413
Brugia malayi	Smad1	0.0017	0.004	0.004
Schistosoma mansoni	smad1 5 8 and	0.0017	0.004	0.0039
Brugia malayi	amine oxidase, flavin-containing family protein	0.0136	0.0658	0.0658
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0001	0.0000008534
Onchocerca volvulus		0.0327	0.1649	1
Echinococcus granulosus	acetylcholinesterase	0.1935	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0327	0.1649	0.1648
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0023	0.0069	0.0413
Echinococcus granulosus	neuroligin	0.0327	0.1649	0.1648
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0017	0.004	0.0039
Echinococcus granulosus	multidrug resistance protein 1	0.0023	0.0069	0.0068
Echinococcus granulosus	carboxylesterase 5A	0.1935	1	1
Loa Loa (eye worm)	carboxylesterase	0.0327	0.1649	0.1649
Brugia malayi	topoisomerase	0.001	0.0001	0.0001
Schistosoma mansoni	amine oxidase	0.0136	0.0658	0.0657
Loa Loa (eye worm)	Smad1	0.0017	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0327	0.1649	0.1649
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0023	0.0069	0.0069
Trichomonas vaginalis	abcb9, putative	0.0023	0.0069	0.0413
Echinococcus multilocularis	multidrug resistance protein 1	0.0023	0.0069	0.0068
Entamoeba histolytica	P-glycoprotein 5, putative	0.0023	0.0069	1
Onchocerca volvulus		0.0318	0.1601	0.971
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0069	0.0069
Loa Loa (eye worm)	transcription factor SMAD2	0.0251	0.1255	0.1255
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0136	0.0658	0.0657
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0658	0.0658
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0023	0.0069	0.0413
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0023	0.0069	0.0413
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.079	0.4054	0.4053
Trichomonas vaginalis	abcb9, putative	0.0023	0.0069	0.0413
Brugia malayi	ABC transporter family protein	0.0023	0.0069	0.0069
Echinococcus multilocularis	ATP binding cassette sub family B	0.0022	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0327	0.1649	0.1649
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0069	0.0413
Echinococcus granulosus	mitogen activated protein kinase 11	0.0152	0.0741	0.074
Schistosoma mansoni	multidrug resistance protein	0.0023	0.0069	0.0068
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0069	0.0413
Brugia malayi	P38 map kinase family protein 2	0.0152	0.0741	0.0741
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0069	0.0069
Brugia malayi	Carboxylesterase family protein	0.1935	1	1
Brugia malayi	multidrug resistance protein 3	0.0023	0.0069	0.0069
Plasmodium falciparum	protoporphyrinogen oxidase	0.0136	0.0658	1
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0136	0.0658	0.0658
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0327	0.1649	0.1714
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0136	0.0658	0.0639
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.001	0.0001	0.0001
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0069	0.0413
Trichomonas vaginalis	ABC transporter, putative	0.0023	0.0069	0.0413
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0327	0.1649	0.1648
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.0741	0.074
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.001	0.0001	0.5
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0136	0.0658	1
Loa Loa (eye worm)	hypothetical protein	0.0327	0.1649	0.1649
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0023	0.0069	0.0413
Schistosoma mansoni	eyes absent homolog	0.0086	0.0397	0.0396
Brugia malayi	MH2 domain containing protein	0.0017	0.004	0.004
Trichomonas vaginalis	ABC transporter, putative	0.0023	0.0069	0.0413
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0397	0.0397
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0023	0.0069	0.1035
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0136	0.0658	0.0657
Toxoplasma gondii	ATPase, AAA family protein	0.001	0.0001	0.0000021395
Echinococcus granulosus	Smad4	0.0017	0.004	0.0039
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.0741	1
Brugia malayi	MH2 domain containing protein	0.0251	0.1255	0.1255
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.0741	0.074
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0023	0.0069	0.0068
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0023	0.0069	0.0068
Onchocerca volvulus		0.0023	0.0069	0.0413
Schistosoma mansoni	smad1 5 8 and	0.0017	0.004	0.0039
Schistosoma mansoni	acetylcholinesterase	0.0327	0.1649	0.1648
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0023	0.0069	0.0068
Echinococcus granulosus	replication factor c subunit 1	0.001	0.0001	0.00000014066
Onchocerca volvulus		0.0136	0.0658	0.3989
Plasmodium falciparum	multidrug resistance protein 1	0.0023	0.0069	0.1035
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0023	0.0069	0.0068
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0327	0.1649	1
Echinococcus granulosus	BC026374 protein S09 family	0.0327	0.1649	0.1648
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0069	0.0413
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0016	0.0033	0.0197
Schistosoma mansoni	multidrug resistance protein	0.0023	0.0069	0.0068
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0136	0.0658	1
Mycobacterium ulcerans	monoamine oxidase	0.0136	0.0658	0.0658
Brugia malayi	Carboxylesterase family protein	0.0327	0.1649	0.1649
Loa Loa (eye worm)	hypothetical protein	0.001	0.0001	0.0001
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0022	0.0067	0.0067
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0023	0.0069	0.1035
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0023	0.0069	0.0068
Treponema pallidum	DNA ligase (lig)	0.001	0.0001	0.5
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0327	0.1649	0.1648
Echinococcus granulosus	para nitrobenzyl esterase	0.0327	0.1649	0.1648
Brugia malayi	hypothetical protein	0.0086	0.0397	0.0397
Loa Loa (eye worm)	acetylcholinesterase 1	0.1935	1	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0017	0.004	0.0039
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0069	0.0413

Activities

Activity type	Activity value	Assay description	Source	Reference
AUC (ADMET)	= 0 uM h	Area under curve was determined in rat after PO administration	ChEMBL.	12482439
Clp (ADMET)	= 181 ml min-1 kg-1	Plasma clearance of the compound was determined in rat	ChEMBL.	12482439
F (ADMET)	= 0 %	Oral bioavailability in rat	ChEMBL.	12482439
IC50 (binding)	= 9.046	Inhibition of p38alpha MAPK (unknown origin)	ChEMBL.	No reference
IC50 (binding)	= 0.9 nM	Inhibitory activity against mitogen-activated protein kinase p38 alpha	ChEMBL.	12482439
IC50 (binding)	= 0.9 nM	Inhibition of p38alpha (unknown origin)	ChEMBL.	18271520
IC50 (binding)	= 0.9 nM	Inhibitory activity against mitogen-activated protein kinase p38 alpha	ChEMBL.	12482439
IC50 (binding)	= 0.9 nM	Inhibition of p38alpha (unknown origin)	ChEMBL.	18271520
IC50 (functional)	= 2 nM	Inhibition of LPS-stimulated TNF-alpha production in monocyte cells	ChEMBL.	12482439
IC50 (functional)	= 2 nM	Suppression of TNFalpha production in LPS-stimulated whole blood (unknown origin)	ChEMBL.	18271520
IC50 (functional)	= 2 nM	Inhibition of LPS-stimulated TNF-alpha production in monocyte cells	ChEMBL.	12482439
IC50 (functional)	= 2 nM	Suppression of TNFalpha production in LPS-stimulated whole blood (unknown origin)	ChEMBL.	18271520
T1/2 (ADMET)	= 2.5 hr	Half-life of the compound was determined in rat	ChEMBL.	12482439
Vd (ADMET)	= 21.4 l kg-1	Volume distribution of the compound was determined in rat	ChEMBL.	12482439

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	12482439

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: CHEMBL96763
PubChem: 23532793

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 154737