TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 486.441 | Formula: C19H22N10O6
H donors: 4 H acceptors: 9 LogP: -2.43 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)NC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
InChi: 1S/C19H22N10O6/c1-26-16-11(17(33)27(2)19(26)34)28(6-25-16)4-9(30)21-3-8-12(31)13(32)18(35-8)29-7-24-10-14(20)22-5-23-15(10)29/h5-8,12-13,18,31-32H,3-4H2,1-2H3,(H,21,30)(H2,20,22,23)/t8-,12-,13-,18-/m1/s1
InChiKey: XHEHMIFTTSKFOO-IKGPEZKQSA-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	ubiquitin specific peptidase 1	Starlite/ChEMBL	No 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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0248	0.2975	0.2736
Schistosoma mansoni	tubulin subunit alpha	0.0415	0.676	0.6649
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0415	0.676	0.676
Echinococcus granulosus	tubulin subunit TubB	0.0415	0.676	0.6649
Echinococcus multilocularis	tubulin subunit TubB	0.0415	0.676	0.6649
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0285	0.3825	0.3825
Schistosoma mansoni	tubulin subunit beta	0.0559	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0415	0.676	0.6649
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0559	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0415	0.676	0.6649
Schistosoma mansoni	tubulin subunit beta	0.0559	1	1
Schistosoma mansoni	tubulin subunit epsilon	0.03	0.4154	0.3955
Mycobacterium tuberculosis	Cell division protein FtsZ	0.013	0.0329	0.5
Mycobacterium ulcerans	cell division protein FtsZ	0.013	0.0329	0.5
Echinococcus multilocularis	tubulin epsilon chain	0.03	0.4154	0.3955
Echinococcus multilocularis	tubulin alpha 1C chain	0.0415	0.676	0.6649
Schistosoma mansoni	alpha tubulin	0.0415	0.676	0.6649
Loa Loa (eye worm)	tubulin beta-4 chain	0.0559	1	1
Leishmania major	beta tubulin	0.0559	1	1
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0559	1	1
Trypanosoma brucei	alpha tubulin, putative	0.017	0.1219	0.092
Echinococcus granulosus	peroxisome assembly protein 26	0.0415	0.676	0.6649
Leishmania major	beta tubulin	0.0559	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0415	0.676	0.6649
Trypanosoma brucei	beta tubulin	0.0559	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0559	1	1
Leishmania major	beta tubulin	0.0559	1	1
Echinococcus multilocularis	beta tubulin	0.0559	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0559	1	1
Echinococcus granulosus	tubulin beta 1 chain	0.0559	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.017	0.1219	0.092
Leishmania major	gamma-tubulin	0.03	0.4154	0.3955
Onchocerca volvulus	Netrin receptor homolog	0.0248	0.2975	1
Echinococcus granulosus	death domain containing protein	0.0248	0.2975	0.2736
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0559	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0559	1	1
Plasmodium vivax	tubulin epsilon chain, putative	0.03	0.4154	0.3955
Trypanosoma brucei	beta tubulin	0.03	0.4154	0.3955
Loa Loa (eye worm)	hypothetical protein	0.0415	0.676	0.676
Brugia malayi	Death domain containing protein	0.0248	0.2975	0.2958
Plasmodium falciparum	alpha tubulin 1	0.0415	0.676	0.6649
Leishmania major	beta tubulin	0.0559	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0415	0.676	0.6649
Echinococcus granulosus	tubulin alpha 3 chain	0.0415	0.676	0.6649
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0415	0.676	0.6649
Echinococcus multilocularis	tubulin beta 1 chain	0.0559	1	1
Trypanosoma brucei	beta tubulin	0.0559	1	1
Leishmania major	alpha tubulin	0.0415	0.676	0.6649
Echinococcus granulosus	tubulin subunit beta	0.0559	1	1
Brugia malayi	Tubulin beta chain	0.013	0.0329	0.0305
Echinococcus multilocularis	netrin receptor unc 5	0.0248	0.2975	0.2736
Leishmania major	beta tubulin	0.0559	1	1
Brugia malayi	Cell division protein ftsZ	0.013	0.0329	0.0305
Schistosoma mansoni	hypothetical protein	0.0248	0.2975	0.2736
Brugia malayi	Tubulin alpha-2 chain	0.0415	0.676	0.6752
Echinococcus granulosus	Tubulin alpha 1 chain	0.0415	0.676	0.6649
Brugia malayi	beta-tubulin, identical	0.0559	1	1
Echinococcus multilocularis	tubulin subunit beta	0.0559	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0285	0.3825	0.3615
Echinococcus granulosus	Tubulin beta 2C chain	0.0559	1	1
Echinococcus multilocularis	Ankyrin	0.0248	0.2975	0.2736
Trypanosoma brucei	epsilon tubulin	0.03	0.4154	0.3955
Entamoeba histolytica	tubulin alpha chain, putative	0.0415	0.676	0.4457
Loa Loa (eye worm)	alpha-tubulin	0.0415	0.676	0.676
Trichomonas vaginalis	tubulin beta chain, putative	0.0415	0.676	0.6649
Echinococcus granulosus	tubulin alpha chain	0.0415	0.676	0.6649
Echinococcus granulosus	tubulin alpha chain	0.0415	0.676	0.6649
Leishmania major	alpha tubulin	0.0415	0.676	0.6649
Schistosoma mansoni	netrin receptor unc5	0.0248	0.2975	0.2736
Trichomonas vaginalis	tubulin beta chain, putative	0.017	0.1219	0.092
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0246	0.2935	0.2695
Leishmania major	alpha tubulin	0.0415	0.676	0.6649
Leishmania major	beta tubulin	0.0559	1	1
Giardia lamblia	Beta tubulin	0.0559	1	1
Leishmania major	alpha tubulin	0.0415	0.676	0.6649
Echinococcus multilocularis	tubulin alpha chain	0.0415	0.676	0.6649
Echinococcus granulosus	Tubulin beta 2C chain	0.0559	1	1
Brugia malayi	Uncoordinated protein 44	0.0248	0.2975	0.2958
Leishmania major	alpha tubulin	0.0415	0.676	0.6649
Trichomonas vaginalis	tubulin alpha chain, putative	0.017	0.1219	0.092
Schistosoma mansoni	hypothetical protein	0.0166	0.1128	0.0826
Trypanosoma brucei	beta tubulin	0.0559	1	1
Echinococcus granulosus	tubulin epsilon chain	0.03	0.4154	0.3955
Trichomonas vaginalis	tubulin alpha chain, putative	0.017	0.1219	0.092
Leishmania major	beta tubulin	0.0559	1	1
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.013	0.0329	0.5
Brugia malayi	Tubulin beta chain	0.017	0.1219	0.1197
Trypanosoma brucei	epsilon tubulin	0.03	0.4154	0.3955
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0415	0.676	0.6649
Leishmania major	beta tubulin	0.0559	1	1
Leishmania major	alpha tubulin	0.0415	0.676	0.6649
Leishmania major	alpha tubulin	0.0415	0.676	0.6649
Loa Loa (eye worm)	tubulin alpha 2	0.0285	0.3825	0.3825
Echinococcus multilocularis	geminin	0.0166	0.1128	0.0826
Echinococcus granulosus	netrin receptor unc 5	0.0248	0.2975	0.2736
Giardia lamblia	Beta tubulin	0.0559	1	1
Brugia malayi	Protein kinase domain containing protein	0.0248	0.2975	0.2958
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.0024	0.0024
Trypanosoma cruzi	epsilon tubulin, putative	0.03	0.4154	0.3955
Schistosoma mansoni	tubulin subunit beta	0.0559	1	1
Loa Loa (eye worm)	tubulin gamma chain	0.03	0.4154	0.4154
Plasmodium falciparum	tubulin beta chain	0.0559	1	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0415	0.676	0.6649
Trypanosoma brucei	alpha tubulin	0.0415	0.676	0.6649
Echinococcus granulosus	Tubulin beta 2C chain	0.0559	1	1
Trypanosoma cruzi	alpha tubulin, putative	0.0415	0.676	0.6649
Loa Loa (eye worm)	tubulin alpha 2	0.0285	0.3825	0.3825
Trypanosoma brucei	alpha tubulin	0.0415	0.676	0.6649
Schistosoma mansoni	hypothetical protein	0.0166	0.1128	0.0826
Trichomonas vaginalis	tubulin gamma chain, putative	0.0559	1	1
Leishmania major	beta tubulin	0.0559	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0415	0.676	0.6649
Leishmania major	epsilon tubulin, putative	0.03	0.4154	0.3955
Echinococcus granulosus	tubulin alpha 1C chain	0.0415	0.676	0.6649
Schistosoma mansoni	tubulin subunit gamma	0.03	0.4154	0.3955
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0248	0.2975	0.2736
Trypanosoma cruzi	epsilon tubulin, putative	0.03	0.4154	0.3955
Leishmania major	beta tubulin	0.0559	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0415	0.676	0.6649
Echinococcus granulosus	geminin	0.0166	0.1128	0.0826
Leishmania major	beta tubulin	0.0559	1	1
Trichomonas vaginalis	tubulin, putative	0.017	0.1219	0.092
Echinococcus multilocularis	tubulin alpha chain	0.0415	0.676	0.6649
Echinococcus multilocularis	peroxisome assembly protein 26	0.0415	0.676	0.6649
Plasmodium falciparum	tubulin epsilon chain, putative	0.03	0.4154	0.3955
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0248	0.2975	0.2958
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.0024	0.0024
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.03	0.4154	0.3955
Giardia lamblia	Alpha-tubulin	0.0415	0.676	0.6649
Loa Loa (eye worm)	tubulin beta chain	0.0559	1	1
Leishmania major	beta tubulin	0.0559	1	1
Echinococcus multilocularis	TNFR CD27 30 40 95 cysteine rich region	0.0378	0.5912	0.5773
Echinococcus multilocularis	tubulin alpha 1C chain	0.0415	0.676	0.6649
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0248	0.2975	0.2736
Echinococcus granulosus	tubulin alpha chain	0.0415	0.676	0.6649
Schistosoma mansoni	tubulin subunit beta	0.0559	1	1
Giardia lamblia	Alpha-tubulin	0.0415	0.676	0.6649
Brugia malayi	Tubulin alpha chain	0.013	0.0329	0.0305
Trichomonas vaginalis	tubulin alpha chain, putative	0.0559	1	1
Echinococcus multilocularis	hypothetical protein	0.0415	0.676	0.6649
Schistosoma mansoni	tubulin subunit beta	0.0559	1	1
Giardia lamblia	Gamma tubulin	0.03	0.4154	0.3955
Brugia malayi	Tubulin alpha-2 chain	0.0415	0.676	0.6752
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2975	0.2975
Echinococcus multilocularis	tubulin alpha 3 chain	0.0415	0.676	0.6649
Trichomonas vaginalis	tubulin beta chain, putative	0.0415	0.676	0.6649
Schistosoma mansoni	alpha tubulin	0.0415	0.676	0.6649
Echinococcus granulosus	tubulin alpha	0.03	0.4154	0.3955
Plasmodium falciparum	tubulin gamma chain	0.03	0.4154	0.3955
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0246	0.2935	0.2935
Loa Loa (eye worm)	tubulin alpha chain	0.0415	0.676	0.676
Brugia malayi	Tubulin alpha chain	0.0415	0.676	0.6752
Echinococcus granulosus	beta tubulin	0.0559	1	1
Loa Loa (eye worm)	tubulin beta chain	0.013	0.0329	0.0329
Schistosoma mansoni	tubulin subunit beta	0.0559	1	1
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2975	0.2975
Echinococcus multilocularis	tubulin alpha	0.03	0.4154	0.3955
Trypanosoma brucei	epsilon tubulin	0.03	0.4154	0.3955
Loa Loa (eye worm)	tubulin beta-1 chain	0.0559	1	1
Plasmodium vivax	tubulin beta chain, putative	0.0559	1	1
Echinococcus granulosus	Ankyrin	0.0248	0.2975	0.2736
Echinococcus granulosus	Tubulin alpha 1 chain	0.0415	0.676	0.6649
Plasmodium falciparum	alpha tubulin 2	0.0415	0.676	0.6649
Echinococcus multilocularis	beta tubulin	0.0559	1	1
Entamoeba histolytica	tubulin family protein	0.0559	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0415	0.676	0.676
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0248	0.2975	0.2975
Giardia lamblia	Beta tubulin	0.0559	1	1
Leishmania major	beta tubulin	0.0559	1	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0415	0.676	0.4457
Schistosoma mansoni	alpha tubulin	0.0415	0.676	0.6649
Loa Loa (eye worm)	tubulin alpha chain	0.0415	0.676	0.676
Echinococcus granulosus	tubulin alpha chain	0.0415	0.676	0.6649
Leishmania major	beta tubulin	0.0559	1	1
Echinococcus multilocularis	tumor necrosis factor receptor superfamily	0.0378	0.5912	0.5773
Leishmania major	beta tubulin	0.0559	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.03	0.4154	0.3955
Toxoplasma gondii	beta-tubulin, putative	0.0559	1	1
Leishmania major	alpha tubulin	0.0415	0.676	0.6649
Echinococcus granulosus	TNFR CD27 30 40 95 cysteine rich region	0.0378	0.5912	0.5773
Trypanosoma cruzi	beta tubulin, putative	0.0559	1	1
Schistosoma mansoni	ankyrin 23/unc44	0.0248	0.2975	0.2736
Echinococcus multilocularis	tubulin alpha chain	0.0415	0.676	0.6649
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0415	0.676	0.6649
Echinococcus multilocularis	Tubulin beta 2C chain	0.0559	1	1
Leishmania major	beta tubulin	0.0559	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.03	0.4154	0.3955
Toxoplasma gondii	alpha-tubulin I, putative	0.0415	0.676	0.6649
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0415	0.676	0.6649
Plasmodium vivax	tubulin alpha chain, putative	0.0415	0.676	0.6649
Toxoplasma gondii	beta-1 tubulin, putative	0.0559	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0559	1	1
Treponema pallidum	cell division protein FtsZ	0.013	0.0329	0.5
Trichomonas vaginalis	tubulin alpha chain, putative	0.017	0.1219	0.092
Echinococcus granulosus	alpha tubulin	0.0415	0.676	0.6649
Schistosoma mansoni	tumor necrosis factor receptor related	0.0378	0.5912	0.5773
Loa Loa (eye worm)	BEN-1 protein	0.0559	1	1
Loa Loa (eye worm)	tubulin beta-2A chain	0.0559	1	1
Trypanosoma brucei	beta tubulin	0.0559	1	1
Brugia malayi	tubulin alpha-2 chain	0.0415	0.676	0.6752
Trypanosoma brucei	tubulin gamma chain	0.03	0.4154	0.3955
Schistosoma mansoni	tubulin subunit alpha	0.0415	0.676	0.6649
Schistosoma mansoni	tubulin subunit alpha	0.0415	0.676	0.6649
Leishmania major	alpha tubulin	0.0415	0.676	0.6649
Leishmania major	beta tubulin	0.0559	1	1
Brugia malayi	alpha-tubulin	0.0415	0.676	0.6752
Echinococcus granulosus	beta tubulin	0.0559	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0415	0.676	0.6649
Trichomonas vaginalis	tubulin beta chain, putative	0.0415	0.676	0.6649
Mycobacterium leprae	cell division protein FtsZ	0.013	0.0329	0.5
Trypanosoma brucei	alpha tubulin	0.0415	0.676	0.6649
Loa Loa (eye worm)	hypothetical protein	0.0246	0.2935	0.2935
Trypanosoma brucei	alpha tubulin	0.0415	0.676	0.6649
Echinococcus granulosus	Tubulin beta 2C chain	0.0559	1	1
Echinococcus granulosus	tumor necrosis factor receptor superfamily	0.0378	0.5912	0.5773
Echinococcus granulosus	tubulin gamma 1 chain	0.03	0.4154	0.3955
Echinococcus multilocularis	Tubulin beta 2C chain	0.0559	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0415	0.676	0.6649
Echinococcus granulosus	Tubulin alpha 1 chain	0.0415	0.676	0.6649
Leishmania major	alpha tubulin	0.0415	0.676	0.6649
Echinococcus granulosus	tubulin beta 4A class IVa	0.0559	1	1
Brugia malayi	tubulin alpha chain - mouse	0.0415	0.676	0.6752
Leishmania major	alpha tubulin	0.0415	0.676	0.6649
Echinococcus multilocularis	tubulin gamma 1 chain	0.03	0.4154	0.3955
Toxoplasma gondii	beta tubulin	0.0559	1	1
Plasmodium vivax	tubulin alpha chain, putative	0.0415	0.676	0.6649
Loa Loa (eye worm)	BEN-1 protein	0.0559	1	1
Leishmania major	beta tubulin	0.0559	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0415	0.676	0.6649
Trypanosoma cruzi	tubulin gamma chain	0.03	0.4154	0.3955
Loa Loa (eye worm)	hypothetical protein	0.0285	0.3825	0.3825
Plasmodium vivax	tubulin gamma chain, putative	0.03	0.4154	0.3955
Brugia malayi	Tubulin gamma chain	0.03	0.4154	0.4139
Trichomonas vaginalis	tubulin, putative	0.017	0.1219	0.092
Entamoeba histolytica	tubulin family protein	0.0559	1	1
Leishmania major	alpha tubulin	0.0415	0.676	0.6649
Echinococcus multilocularis	tubulin alpha chain	0.0415	0.676	0.6649
Trichomonas vaginalis	tubulin beta chain, putative	0.0559	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.03	0.4154	0.3955
Echinococcus granulosus	tubulin alpha chain	0.0415	0.676	0.6649
Trichomonas vaginalis	tubulin, putative	0.0559	1	1
Loa Loa (eye worm)	beta-tubulin	0.0559	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.1 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1898734

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1571595