TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 506.426 | Formula: C27H25Cl2N5O
H donors: 2 H acceptors: 4 LogP: 5.54 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: O=C(N[C@H](c1ccccc1)CNc1nc(nc(c1Cl)C)c1ccc(cn1)Cl)CCc1ccccc1
InChi: 1S/C27H25Cl2N5O/c1-18-25(29)27(34-26(32-18)22-14-13-21(28)16-30-22)31-17-23(20-10-6-3-7-11-20)33-24(35)15-12-19-8-4-2-5-9-19/h2-11,13-14,16,23H,12,15,17H2,1H3,(H,33,35)(H,31,32,34)/t23-/m0/s1
InChiKey: IWPKHWAHQNLSRO-QHCPKHFHSA-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	methionyl aminopeptidase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	methionine aminopeptidase type I	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium knowlesi	methionine aminopeptidase 1b, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium falciparum	methionine aminopeptidase 1b, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Treponema pallidum	methionine aminopeptidase (map)	Get druggable targets OG5_126721	All targets in OG5_126721
Cryptosporidium parvum	methionine aminopeptidase with MYND finger at N-terminus	Get druggable targets OG5_126721	All targets in OG5_126721
Trypanosoma brucei	methionine aminopeptidase, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Leishmania major	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Leishmania infantum	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Babesia bovis	methionine aminopeptidase, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Trypanosoma brucei gambiense	methionine aminopeptidase, putative,metallo- peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium vivax	methionine aminopeptidase 1b, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Chlamydia trachomatis	methionine aminopeptidase	Get druggable targets OG5_126721	All targets in OG5_126721
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	Get druggable targets OG5_126721	All targets in OG5_126721
Trypanosoma brucei	metallo- peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Candida albicans	methionine aminopeptidase	Get druggable targets OG5_126721	All targets in OG5_126721
Toxoplasma gondii	methionine aminopeptidase	Get druggable targets OG5_126721	All targets in OG5_126721
Toxoplasma gondii	methionine aminopeptidase	Get druggable targets OG5_126721	All targets in OG5_126721
Neospora caninum	methionine aminopeptidase, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Wolbachia endosymbiont of Brugia malayi	methionine aminopeptidase	Get druggable targets OG5_126721	All targets in OG5_126721
Mycobacterium ulcerans	methionine aminopeptidase MapB	Get druggable targets OG5_126721	All targets in OG5_126721
Theileria parva	methionine aminopeptidase, type I, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium berghei	methionine aminopeptidase 1a, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium berghei	methionine aminopeptidase 1b, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	Get druggable targets OG5_126721	All targets in OG5_126721
Mycobacterium tuberculosis	Methionine aminopeptidase MapB (map) (peptidase M)	Get druggable targets OG5_126721	All targets in OG5_126721
Cryptosporidium hominis	methionine aminopeptidase 1 (MetAP 1) (MAP 1) (Peptidase M 1)	Get druggable targets OG5_126721	All targets in OG5_126721
Schistosoma japonicum	ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative	Get druggable targets OG5_126721	All targets in OG5_126721
Babesia bovis	methionine aminopeptidase, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Schistosoma japonicum	ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative	Get druggable targets OG5_126721	All targets in OG5_126721
Brugia malayi	Methionine aminopeptidase protein type I	Get druggable targets OG5_126721	All targets in OG5_126721
Echinococcus granulosus	methionyl aminopeptidase 1 M24 family	Get druggable targets OG5_126721	All targets in OG5_126721
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M)	Get druggable targets OG5_126721	All targets in OG5_126721
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	Get druggable targets OG5_126721	All targets in OG5_126721
Mycobacterium ulcerans	methionine aminopeptidase	Get druggable targets OG5_126721	All targets in OG5_126721
Trypanosoma brucei	methionine aminopeptidase, type I, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	Get druggable targets OG5_126721	All targets in OG5_126721
Leishmania mexicana	methionine aminopeptidase	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium yoelii	methionine aminopeptidase, type I, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Leishmania donovani	metallo- peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Trypanosoma congolense	metallo- peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Toxoplasma gondii	methionine aminopeptidase, type i, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium falciparum	methionine aminopeptidase 1a, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium knowlesi	methionine aminopeptidase 1a, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Schistosoma japonicum	Methionine aminopeptidase 1, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Candida albicans	methionine aminopeptidase	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium yoelii	methionine aminopeptidase, type I	Get druggable targets OG5_126721	All targets in OG5_126721
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP)	Get druggable targets OG5_126721	All targets in OG5_126721
Leishmania braziliensis	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	Get druggable targets OG5_126721	All targets in OG5_126721
Plasmodium vivax	methionine aminopeptidase 1a, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Theileria parva	methionine aminopeptidase, type I, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Neospora caninum	methionine aminopeptidase, putative	Get druggable targets OG5_126721	All targets in OG5_126721
Mycobacterium tuberculosis	Methionine aminopeptidase MapA (map) (peptidase M) (MetAP)	Get druggable targets OG5_126721	All targets in OG5_126721
Neospora caninum	methionine aminopeptidase, putative	Get druggable targets OG5_126721	All targets in OG5_126721

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Toxoplasma gondii	methionine aminopeptidase 2, putative	methionyl aminopeptidase 1	386 aa	313 aa	20.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.004	0.2593	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.2593	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.004	0.2593	0.2593
Mycobacterium tuberculosis	Methionine aminopeptidase MapB (map) (peptidase M)	0.0034	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.004	0.2593	0.2593
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.004	0.2593	1
Echinococcus multilocularis	orexin receptor type 2	0.004	0.2593	0.2593
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.004	0.2593	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.2593	1
Onchocerca volvulus		0.004	0.2593	0.5
Onchocerca volvulus		0.004	0.2593	0.5
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0054	1	1
Toxoplasma gondii	methionine aminopeptidase	0.0054	1	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.004	0.2593	0.2593
Onchocerca volvulus		0.004	0.2593	0.5
Trypanosoma brucei	methionine aminopeptidase, putative	0.0054	1	0.5
Schistosoma mansoni	amine GPCR	0.004	0.2593	1
Echinococcus multilocularis	neuropeptide receptor A26	0.004	0.2593	0.2593
Echinococcus multilocularis	g-protein coupled receptor	0.004	0.2593	0.2593
Echinococcus multilocularis	dro:myosuppressin receptor	0.004	0.2593	0.2593
Mycobacterium ulcerans	methionine aminopeptidase	0.0034	0	0.5
Echinococcus multilocularis	g protein coupled receptor	0.004	0.2593	0.2593
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.004	0.2593	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.004	0.2593	1
Schistosoma mansoni	amine GPCR	0.004	0.2593	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.004	0.2593	0.2593
Schistosoma mansoni	biogenic amine (5HT) receptor	0.004	0.2593	1
Onchocerca volvulus		0.004	0.2593	0.5
Onchocerca volvulus		0.004	0.2593	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.004	0.2593	0.2593
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.004	0.2593	0.2593
Onchocerca volvulus		0.004	0.2593	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.004	0.2593	0.2593
Schistosoma mansoni	neuropeptide receptor	0.004	0.2593	1
Trypanosoma brucei	metallo- peptidase, Clan MG, Family M24	0.0054	1	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.004	0.2593	1
Schistosoma mansoni	amine GPCR	0.004	0.2593	1
Onchocerca volvulus		0.004	0.2593	0.5
Loa Loa (eye worm)	methionine aminopeptidase type I	0.0054	1	1
Leishmania major	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.0054	1	0.5
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.004	0.2593	0.2593
Onchocerca volvulus		0.004	0.2593	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.004	0.2593	1
Echinococcus multilocularis	neuropeptide Y receptor	0.004	0.2593	0.2593
Onchocerca volvulus		0.004	0.2593	0.5
Schistosoma mansoni	myosin xvIII	0.004	0.2593	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.004	0.2593	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.2593	1
Onchocerca volvulus		0.004	0.2593	0.5
Onchocerca volvulus		0.004	0.2593	0.5
Schistosoma mansoni	biogenic amine receptor	0.004	0.2593	1
Schistosoma mansoni	neuropeptide receptor	0.004	0.2593	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.004	0.2593	0.2593
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.2593	1
Schistosoma mansoni	biogenic amine receptor	0.004	0.2593	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.004	0.2593	1
Echinococcus multilocularis	g protein coupled receptor	0.004	0.2593	0.2593
Schistosoma mansoni	alpha-1 adrenergic receptor	0.004	0.2593	1
Echinococcus multilocularis	sex peptide receptor	0.004	0.2593	0.2593
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.004	0.2593	0.2593
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.004	0.2593	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.2593	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.004	0.2593	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.2593	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.004	0.2593	0.2593
Schistosoma mansoni	opsin-like receptor	0.004	0.2593	1
Schistosoma mansoni	hypothetical protein	0.004	0.2593	1
Schistosoma mansoni	neuropeptide receptor	0.004	0.2593	1
Onchocerca volvulus		0.004	0.2593	0.5
Onchocerca volvulus		0.004	0.2593	0.5
Onchocerca volvulus	Neuropeptide F receptor homolog	0.004	0.2593	0.5
Schistosoma mansoni	neuropeptide receptor	0.004	0.2593	1
Plasmodium vivax	methionine aminopeptidase 1b, putative	0.0054	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.004	0.2593	0.2593
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0054	1	0.5
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.004	0.2593	0.2593
Schistosoma mansoni	neuropeptide f receptor 76f	0.004	0.2593	1
Echinococcus multilocularis	fmrfamide receptor	0.004	0.2593	0.2593
Echinococcus multilocularis	neuropeptide receptor	0.004	0.2593	0.2593
Echinococcus multilocularis	g protein coupled receptor	0.004	0.2593	0.2593
Echinococcus granulosus	methionyl aminopeptidase 1 M24 family	0.0054	1	1
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M)	0.0034	0	0.5
Echinococcus multilocularis	neuropeptide FF receptor 2	0.004	0.2593	0.2593
Echinococcus multilocularis	rhodopsin orphan GPCR	0.004	0.2593	0.2593
Onchocerca volvulus		0.004	0.2593	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.004	0.2593	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.004	0.2593	1
Echinococcus multilocularis	G protein coupled receptor 139	0.004	0.2593	0.2593
Echinococcus multilocularis	allatostatin A receptor	0.004	0.2593	0.2593
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.004	0.2593	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.2593	1
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP)	0.0034	0	0.5
Echinococcus multilocularis	serotonin receptor	0.004	0.2593	0.2593
Schistosoma mansoni	hypothetical protein	0.004	0.2593	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.004	0.2593	0.2593
Schistosoma mansoni	biogenic amine receptor	0.004	0.2593	1
Schistosoma mansoni	amine GPCR	0.004	0.2593	1
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.004	0.2593	0.2593
Schistosoma mansoni	neuropeptide F-like receptor	0.004	0.2593	1
Schistosoma mansoni	amine GPCR	0.004	0.2593	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.004	0.2593	0.2593
Echinococcus multilocularis	neuropeptides capa receptor	0.004	0.2593	0.2593
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0054	1	0.5
Schistosoma mansoni	opsin-like receptor	0.004	0.2593	1
Echinococcus multilocularis	somatostatin receptor	0.004	0.2593	0.2593
Trypanosoma brucei	methionine aminopeptidase, type I, putative	0.0054	1	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.004	0.2593	0.2593
Onchocerca volvulus		0.004	0.2593	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.004	0.2593	0.2593
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.004	0.2593	0.2593
Treponema pallidum	methionine aminopeptidase (map)	0.0034	0	0.5
Chlamydia trachomatis	methionine aminopeptidase	0.0034	0	0.5
Mycobacterium tuberculosis	Methionine aminopeptidase MapA (map) (peptidase M) (MetAP)	0.0034	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.004	0.2593	0.2593
Schistosoma mansoni	histamine h1 receptor	0.004	0.2593	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.004	0.2593	0.2593
Echinococcus multilocularis	neuropeptides capa receptor	0.004	0.2593	0.2593
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.004	0.2593	0.2593
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.004	0.2593	1
Schistosoma mansoni	hypothetical protein	0.004	0.2593	1
Onchocerca volvulus		0.004	0.2593	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.004	0.2593	0.2593
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.004	0.2593	0.2593
Plasmodium falciparum	methionine aminopeptidase 1b, putative	0.0054	1	1
Schistosoma mansoni	hypothetical protein	0.004	0.2593	1
Schistosoma mansoni	adenoreceptor	0.004	0.2593	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.004	0.2593	1
Mycobacterium ulcerans	methionine aminopeptidase MapB	0.0034	0	0.5
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.004	0.2593	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.2593	1
Onchocerca volvulus		0.004	0.2593	0.5
Echinococcus multilocularis	serotonin receptor	0.004	0.2593	0.2593
Echinococcus multilocularis	neuropeptide receptor	0.004	0.2593	0.2593
Wolbachia endosymbiont of Brugia malayi	methionine aminopeptidase	0.0034	0	0.5
Echinococcus multilocularis	fmrfamide receptor	0.004	0.2593	0.2593
Schistosoma mansoni	opsin-like receptor	0.004	0.2593	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.004	0.2593	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 0.093 uM	Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after 20 mins by spectrophotometric analysis in presence of Bacillus coagulans GST-tagged proline iminopeptidase	ChEMBL.	23507151
EC50 (binding)	> 30 uM	Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroanilide as substrate after 20 mins by spectrophotometric analysis in presence of Bacillus coagulans GST-tagged proline iminopeptidase	ChEMBL.	23507151

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: CHEMBL2392914

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 1779456