TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 453.945 | Formula: C22H20ClN5O2S
H donors: 0 H acceptors: 3 LogP: 2.79 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCOCC1)/C=C/c1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl
InChi: 1S/C22H20ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-7,12H,8-11,13H2,1H3/b7-6+
InChiKey: XXYRUVMJEYVQRW-VOTSOKGWSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	platelet-activating factor receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	g-protein coupled receptor	platelet-activating factor receptor	342 aa	302 aa	22.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	tubulin family protein	0.0241	0.0886	1
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Trypanosoma cruzi	alpha tubulin, putative	0.0182	0.0435	0.4513
Brugia malayi	Zinc carboxypeptidase family protein	0.0245	0.0918	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0182	0.0435	0.0399
Echinococcus granulosus	Tubulin alpha 1 chain	0.0182	0.0435	0.0399
Trichomonas vaginalis	tubulin gamma chain, putative	0.0241	0.0886	0.9653
Trypanosoma brucei	metallo-peptidase, Clan MC, Family M14, putative	0.0245	0.0918	0.6071
Schistosoma mansoni	tubulin subunit alpha	0.0182	0.0435	0.0399
Trypanosoma brucei	alpha tubulin	0.0182	0.0435	0.274
Giardia lamblia	Beta tubulin	0.0241	0.0886	0.9638
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0245	0.0918	1
Leishmania major	alpha tubulin	0.0182	0.0435	0.4513
Echinococcus granulosus	tubulin alpha 3 chain	0.0182	0.0435	0.0399
Brugia malayi	Tubulin beta-1 chain	0.0241	0.0886	0.9638
Schistosoma mansoni	tubulin subunit beta	0.0241	0.0886	0.0851
Echinococcus multilocularis	peroxisome assembly protein 26	0.0182	0.0435	0.0399
Trypanosoma cruzi	zinc carboxypeptidase, putative	0.0245	0.0918	1
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0245	0.0918	1
Echinococcus granulosus	tubulin alpha chain	0.0182	0.0435	0.0399
Echinococcus granulosus	tubulin alpha chain	0.0182	0.0435	0.0399
Loa Loa (eye worm)	tubulin gamma chain	0.013	0.0038	0.0047
Echinococcus granulosus	Zinc carboxypeptidase family protein	0.0245	0.0918	0.0883
Schistosoma mansoni	tubulin subunit beta	0.0241	0.0886	0.0851
Trypanosoma brucei	beta tubulin	0.0241	0.0886	0.5851
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Brugia malayi	Tubulin alpha-2 chain	0.0182	0.0435	0.4513
Echinococcus multilocularis	tubulin alpha 3 chain	0.0182	0.0435	0.0399
Trichomonas vaginalis	tubulin alpha chain, putative	0.013	0.0038	0.0417
Onchocerca volvulus	Subfamily M14A unassigned peptidase homolog	0.1426	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0241	0.0886	0.0851
Plasmodium vivax	tubulin beta chain, putative	0.0241	0.0886	0.9638
Loa Loa (eye worm)	hypothetical protein	0.0245	0.0918	0.1131
Trypanosoma brucei	metallo-peptidase, Clan MC, Family M14, putative	0.0245	0.0918	0.6071
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14	0.0245	0.0918	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0182	0.0435	0.4742
Echinococcus multilocularis	cytosolic carboxypeptidase protein 5	0.0245	0.0918	0.0883
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0245	0.0918	1
Echinococcus multilocularis	tubulin alpha chain	0.0182	0.0435	0.0399
Echinococcus granulosus	cytosolic carboxypeptidase protein 5	0.0245	0.0918	0.0883
Trichomonas vaginalis	tubulin beta chain, putative	0.0182	0.0435	0.4742
Trichomonas vaginalis	tubulin beta chain, putative	0.0182	0.0435	0.4742
Schistosoma mansoni	metallocarboxypeptidase D peptidase unit 2 (M14 family)	0.0245	0.0918	0.0883
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0245	0.0918	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0245	0.0918	1
Trypanosoma cruzi	Carboxypeptidase-like protein	0.0245	0.0918	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0182	0.0435	0.0399
Schistosoma mansoni	peptidase	0.0245	0.0918	0.0883
Schistosoma mansoni	peptidase	0.0245	0.0918	0.0883
Loa Loa (eye worm)	hypothetical protein	0.0245	0.0918	0.1131
Echinococcus granulosus	tubulin subunit beta	0.0241	0.0886	0.0851
Leishmania major	alpha tubulin	0.0182	0.0435	0.4513
Loa Loa (eye worm)	hypothetical protein	0.0245	0.0918	0.1131
Echinococcus granulosus	tubulin alpha chain	0.0182	0.0435	0.0399
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0245	0.0918	1
Echinococcus multilocularis	tubulin alpha chain	0.0182	0.0435	0.0399
Onchocerca volvulus		0.1426	1	1
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0245	0.0918	1
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Loa Loa (eye worm)	hypothetical protein	0.0245	0.0918	0.1131
Trypanosoma cruzi	beta tubulin, putative	0.0241	0.0886	0.9638
Loa Loa (eye worm)	tubulin alpha chain	0.0182	0.0435	0.0536
Loa Loa (eye worm)	tubulin beta-4 chain	0.0241	0.0886	0.1092
Loa Loa (eye worm)	hypothetical protein	0.0245	0.0918	0.1131
Echinococcus multilocularis	tubulin alpha chain	0.0182	0.0435	0.0399
Schistosoma mansoni	protease m14 carboxypeptidase	0.0245	0.0918	0.0883
Toxoplasma gondii	zinc carboxypeptidase superfamily protein	0.0245	0.0918	1
Trypanosoma brucei	RNA helicase, putative	0.0319	0.1487	1
Echinococcus granulosus	tubulin alpha chain	0.0182	0.0435	0.0399
Echinococcus multilocularis	Tubulin beta 2C chain	0.0241	0.0886	0.0851
Leishmania major	alpha tubulin	0.0182	0.0435	0.4513
Trypanosoma brucei	alpha tubulin	0.0182	0.0435	0.274
Leishmania major	alpha tubulin	0.0182	0.0435	0.4513
Echinococcus granulosus	Tubulin alpha 1 chain	0.0182	0.0435	0.0399
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Toxoplasma gondii	flagellar/basal body protein	0.0245	0.0918	1
Leishmania major	alpha tubulin	0.0182	0.0435	0.4513
Trichomonas vaginalis	tubulin beta chain, putative	0.0182	0.0435	0.4742
Loa Loa (eye worm)	zinc carboxypeptidase	0.0245	0.0918	0.1131
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0182	0.0435	0.0399
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0182	0.0435	0.0399
Toxoplasma gondii	alpha tubulin TUBA1	0.0182	0.0435	0.4513
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0182	0.0435	0.4742
Brugia malayi	beta-tubulin, identical	0.0241	0.0886	0.9638
Echinococcus multilocularis	tubulin alpha 1C chain	0.0182	0.0435	0.0399
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Leishmania major	alpha tubulin	0.0182	0.0435	0.4513
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0182	0.0435	0.4742
Trypanosoma brucei	beta tubulin	0.0241	0.0886	0.5851
Echinococcus multilocularis	tubulin alpha 3 chain	0.0182	0.0435	0.0399
Schistosoma mansoni	alpha tubulin	0.0182	0.0435	0.0399
Brugia malayi	Zinc carboxypeptidase family protein	0.0245	0.0918	1
Schistosoma mansoni	subfamily M14A unassigned peptidase (M14 family)	0.1426	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0182	0.0435	0.0399
Giardia lamblia	Alpha-tubulin	0.0182	0.0435	0.4513
Loa Loa (eye worm)	hypothetical protein	0.1181	0.8118	1
Echinococcus multilocularis	subfamily M14A unassigned peptidase	0.1426	1	1
Brugia malayi	Zinc carboxypeptidase family protein	0.0245	0.0918	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0182	0.0435	0.4682
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0435	0.0536
Schistosoma mansoni	hypothetical protein	0.0319	0.1487	0.1455
Plasmodium falciparum	tubulin beta chain	0.0241	0.0886	1
Toxoplasma gondii	beta tubulin	0.0241	0.0886	0.9638
Schistosoma mansoni	tubulin subunit beta	0.0241	0.0886	0.0851
Trypanosoma brucei	beta tubulin	0.0241	0.0886	0.5851
Echinococcus granulosus	tubulin alpha 1C chain	0.0182	0.0435	0.0399
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14, putative	0.0245	0.0918	1
Schistosoma mansoni	alpha tubulin	0.0182	0.0435	0.0399
Echinococcus granulosus	Tubulin beta 2C chain	0.0241	0.0886	0.0851
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0245	0.0918	1
Onchocerca volvulus		0.1426	1	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0245	0.0918	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0245	0.0918	1
Onchocerca volvulus		0.1426	1	1
Brugia malayi	Zinc carboxypeptidase family protein	0.0245	0.0918	1
Echinococcus granulosus	tubulin beta 1 chain	0.0241	0.0886	0.0851
Loa Loa (eye worm)	hypothetical protein	0.0245	0.0918	0.1131
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0182	0.0435	0.0399
Plasmodium vivax	hypothetical protein, conserved	0.0245	0.0918	1
Loa Loa (eye worm)	BEN-1 protein	0.0241	0.0886	0.1092
Loa Loa (eye worm)	tubulin alpha chain	0.0182	0.0435	0.0536
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0245	0.0918	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.013	0.0038	0.0417
Brugia malayi	Tubulin alpha chain	0.0182	0.0435	0.4513
Schistosoma mansoni	tubulin subunit alpha	0.0182	0.0435	0.0399
Leishmania major	alpha tubulin	0.0182	0.0435	0.4513
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Echinococcus granulosus	Tubulin beta 2C chain	0.0241	0.0886	0.0851
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0245	0.0918	1
Brugia malayi	alpha-tubulin	0.0182	0.0435	0.4513
Leishmania major	alpha tubulin	0.0182	0.0435	0.4513
Toxoplasma gondii	alpha-tubulin I, putative	0.0182	0.0435	0.4513
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Echinococcus multilocularis	Zinc carboxypeptidase family protein	0.0245	0.0918	0.0883
Schistosoma mansoni	tubulin subunit beta	0.0241	0.0886	0.0851
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Schistosoma mansoni	hypothetical protein	0.0245	0.0918	0.0883
Giardia lamblia	Beta tubulin	0.0241	0.0886	0.9638
Loa Loa (eye worm)	hypothetical protein	0.0245	0.0918	0.1131
Entamoeba histolytica	tubulin alpha chain, putative	0.0182	0.0435	0.4682
Schistosoma mansoni	carboxypeptidase N (M14 family)	0.0245	0.0918	0.0883
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0245	0.0918	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0241	0.0886	0.0851
Echinococcus granulosus	Tubulin beta 2C chain	0.0241	0.0886	0.0851
Schistosoma mansoni	peptidase	0.0245	0.0918	0.0883
Brugia malayi	tubulin alpha-2 chain	0.0182	0.0435	0.4513
Trypanosoma brucei	alpha tubulin	0.0182	0.0435	0.274
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Echinococcus multilocularis	tubulin beta 1 chain	0.0241	0.0886	0.0851
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0241	0.0886	0.0851
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0245	0.0918	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0182	0.0435	0.0536
Echinococcus multilocularis	beta tubulin	0.0241	0.0886	0.0851
Brugia malayi	Zinc carboxypeptidase family protein	0.0245	0.0918	1
Brugia malayi	tubulin alpha chain - mouse	0.0182	0.0435	0.4513
Echinococcus granulosus	tubulin alpha chain	0.0182	0.0435	0.0399
Schistosoma mansoni	tubulin subunit alpha	0.0182	0.0435	0.0399
Schistosoma mansoni	tubulin subunit beta	0.0241	0.0886	0.0851
Loa Loa (eye worm)	alpha-tubulin	0.0182	0.0435	0.0536
Toxoplasma gondii	beta-1 tubulin, putative	0.0241	0.0886	0.9638
Brugia malayi	Zinc carboxypeptidase family protein	0.0245	0.0918	1
Trypanosoma brucei	beta tubulin	0.0241	0.0886	0.5851
Plasmodium vivax	tubulin alpha chain, putative	0.0182	0.0435	0.4513
Leishmania major	alpha tubulin	0.0182	0.0435	0.4513
Trichomonas vaginalis	tubulin alpha chain, putative	0.0241	0.0886	0.9653
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Echinococcus granulosus	Tubulin beta 2C chain	0.0241	0.0886	0.0851
Toxoplasma gondii	zinc carboxypeptidase superfamily protein	0.0245	0.0918	1
Loa Loa (eye worm)	alpha-tubulin	0.0182	0.0435	0.0536
Trichomonas vaginalis	tubulin, putative	0.0241	0.0886	0.9653
Loa Loa (eye worm)	hypothetical protein	0.0245	0.0918	0.1131
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0182	0.0435	0.4742
Echinococcus multilocularis	beta tubulin	0.0241	0.0886	0.0851
Giardia lamblia	Beta tubulin	0.0241	0.0886	0.9638
Echinococcus granulosus	tubulin beta 4A class IVa	0.0241	0.0886	0.0851
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0245	0.0918	1
Echinococcus multilocularis	tubulin subunit beta	0.0241	0.0886	0.0851
Loa Loa (eye worm)	BEN-1 protein	0.0241	0.0886	0.1092
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0245	0.0918	1
Brugia malayi	Zinc carboxypeptidase family protein	0.0245	0.0918	1
Plasmodium falciparum	alpha tubulin 1	0.0182	0.0435	0.4682
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Echinococcus multilocularis	tubulin alpha chain	0.0182	0.0435	0.0399
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0241	0.0886	0.9653
Loa Loa (eye worm)	tubulin beta chain	0.0241	0.0886	0.1092
Brugia malayi	Tubulin alpha-2 chain	0.0182	0.0435	0.4513
Loa Loa (eye worm)	hypothetical protein	0.0245	0.0918	0.1131
Echinococcus granulosus	beta tubulin	0.0241	0.0886	0.0851
Echinococcus granulosus	alpha tubulin	0.0182	0.0435	0.0399
Echinococcus granulosus	tubulin subunit TubB	0.0182	0.0435	0.0399
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Giardia lamblia	Alpha-tubulin	0.0182	0.0435	0.4513
Onchocerca volvulus		0.1426	1	1
Loa Loa (eye worm)	zinc carboxypeptidase	0.0245	0.0918	0.1131
Leishmania major	alpha tubulin	0.0182	0.0435	0.4513
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0241	0.0886	0.9653
Echinococcus granulosus	Tubulin alpha 1 chain	0.0182	0.0435	0.0399
Schistosoma mansoni	alpha tubulin	0.0182	0.0435	0.0399
Trichomonas vaginalis	tubulin gamma chain, putative	0.013	0.0038	0.0417
Loa Loa (eye worm)	zinc carboxypeptidase	0.0245	0.0918	0.1131
Trypanosoma brucei	Carboxypeptidase-like protein	0.0245	0.0918	0.6071
Leishmania major	alpha tubulin	0.0182	0.0435	0.4513
Loa Loa (eye worm)	zinc carboxypeptidase	0.0245	0.0918	0.1131
Schistosoma mansoni	tubulin subunit beta	0.0241	0.0886	0.0851
Loa Loa (eye worm)	tubulin beta-2A chain	0.0241	0.0886	0.1092
Echinococcus multilocularis	Tubulin beta 2C chain	0.0241	0.0886	0.0851
Toxoplasma gondii	zinc carboxypeptidase, putative	0.0245	0.0918	1
Entamoeba histolytica	tubulin family protein	0.0241	0.0886	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0182	0.0435	0.0399
Trichomonas vaginalis	tubulin beta chain, putative	0.0182	0.0435	0.4742
Brugia malayi	Zinc carboxypeptidase family protein	0.0245	0.0918	1
Echinococcus multilocularis	hypothetical protein	0.0182	0.0435	0.0399
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0245	0.0918	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.0241	0.0886	0.1092
Brugia malayi	Carboxypeptidase A2 precursor	0.0245	0.0918	1
Leishmania major	alpha tubulin	0.0182	0.0435	0.4513
Echinococcus multilocularis	tubulin subunit TubB	0.0182	0.0435	0.0399
Trypanosoma brucei	alpha tubulin	0.0182	0.0435	0.274
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Echinococcus granulosus	cytosolic carboxypeptidase 1	0.0245	0.0918	0.0883
Leishmania major	beta tubulin	0.0241	0.0886	0.9638
Schistosoma mansoni	family M14 non-peptidase homologue (M14 family)	0.0245	0.0918	0.0883
Toxoplasma gondii	beta-tubulin, putative	0.0241	0.0886	0.9638
Loa Loa (eye worm)	hypothetical protein	0.0245	0.0918	0.1131
Plasmodium falciparum	alpha tubulin 2	0.0182	0.0435	0.4682
Echinococcus multilocularis	tubulin alpha chain	0.0182	0.0435	0.0399
Echinococcus granulosus	beta tubulin	0.0241	0.0886	0.0851
Echinococcus multilocularis		0.0245	0.0918	0.0883
Loa Loa (eye worm)	beta-tubulin	0.0241	0.0886	0.1092
Plasmodium vivax	tubulin alpha chain, putative	0.0182	0.0435	0.4513
Trichomonas vaginalis	tubulin beta chain, putative	0.0241	0.0886	0.9653
Trichomonas vaginalis	tubulin beta chain, putative	0.0182	0.0435	0.4742
Echinococcus multilocularis	Tubulin beta 2C chain	0.0241	0.0886	0.0851
Echinococcus multilocularis	Tubulin beta 2C chain	0.0241	0.0886	0.0851
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14, putative	0.0245	0.0918	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 450 nM	In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.	ChEMBL.	2016721
IC50 (binding)	= 450 nM	In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.	ChEMBL.	2016721
ID50 (functional)	= 0.4 mg kg-1	In vivo inhibitory dose against PAF-induced bronchoconstriction in guinea pig upon intravenous administration after one-minute pre-treatment time.	ChEMBL.	2016721
Inhibition (functional)	= 27 %	In vivo inhibition against PAF-induced bronchoconstriction in guinea pig at 1 mg/kg dose upon peroral administration after one-minute pre-treatment time.	ChEMBL.	2016721

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: CHEMBL285067

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 45988