TDR Targets

Basic information

Technical information

TDR Targets ID: 1295245
Name: N-cyclohexyl-N-ethyl-3-phenylpropanamide
MW: 259.386 | Formula: C17H25NO
H donors: 0 H acceptors: 1 LogP: 3.79 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCN(C(=O)CCc1ccccc1)C1CCCCC1
InChi: 1S/C17H25NO/c1-2-18(16-11-7-4-8-12-16)17(19)14-13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3
InChiKey: XYLOYTBPTCNHGS-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

N-cyclohexyl-N-ethyl-3-phenyl-propanamide
N-cyclohexyl-N-ethyl-3-phenyl-propionamide
TimTec1_003264
ST043847
MLS001183595
SMR000502784

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Homo sapiens	l(3)mbt-like 1 (Drosophila)	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_130415	All targets in OG5_130415
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus multilocularis	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 4 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 3 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	CYP4Cod1	0.0055	0.0301	0.0292
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0158	0.0678
Brugia malayi	mbt repeat family protein	0.0058	0.0325	0.0316
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0028	0.0044	0.0044
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0028	0.0044	0.0044
Brugia malayi	beta-lactamase family protein	0.004	0.0158	0.0149
Onchocerca volvulus		0.0058	0.0325	0.0169
Trichomonas vaginalis	esterase, putative	0.004	0.0158	0.0678
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0227	0.1945	0.1945
Schistosoma mansoni	transcription factor LCR-F1	0.0031	0.007	0.007
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0158	0.0678
Brugia malayi	Latrophilin receptor protein 2	0.0028	0.0044	0.0035
Loa Loa (eye worm)	hypothetical protein	0.004	0.0158	0.0149
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0066	0.0401	0.0401
Entamoeba histolytica	hypothetical protein	0.0031	0.007	1
Mycobacterium leprae	Probable lipase LipE	0.004	0.0158	0.5
Schistosoma mansoni	hypothetical protein	0.0028	0.0044	0.0044
Loa Loa (eye worm)	beta-lactamase	0.004	0.0158	0.0149
Loa Loa (eye worm)	mbt repeat family protein	0.0058	0.0325	0.0316
Trypanosoma brucei	hypothetical protein, conserved	0.004	0.0158	0.5108
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0158	0.0678
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0401	0.0392
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0012	0.0003
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0066	0.0401	0.0392
Brugia malayi	beta-lactamase family protein	0.004	0.0158	0.0149
Onchocerca volvulus		0.0141	0.112	0.0977
Entamoeba histolytica	hypothetical protein	0.0031	0.007	1
Echinococcus multilocularis	polycomb protein SCMH1	0.0058	0.0325	0.0325
Brugia malayi	glutaminase DH11.1	0.0254	0.2208	0.2201
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0025	0.0009	0.0009
Brugia malayi	hypothetical protein	0.0141	0.112	0.1111
Loa Loa (eye worm)	hypothetical protein	0.004	0.0158	0.0149
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0158	0.0678
Schistosoma mansoni	hypothetical protein	0.0025	0.0012	0.0012
Schistosoma mansoni	bromodomain containing protein	0.0076	0.0505	0.0505
Plasmodium falciparum	T-complex protein 1 subunit beta	0.0025	0.0009	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0126	0.0981	0.0981
Loa Loa (eye worm)	hypothetical protein	0.004	0.0158	0.0149
Echinococcus granulosus	polycomb protein SCMH1	0.0058	0.0325	0.0325
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0158	0.0158
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0267	0.0257
Brugia malayi	Bromodomain containing protein	0.0046	0.0216	0.0207
Mycobacterium leprae	conserved hypothetical protein	0.004	0.0158	0.5
Trypanosoma brucei	cytochrome P450, putative	0.0055	0.0301	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0126	0.0981	0.0981
Echinococcus multilocularis	beta LACTamase domain containing family member	0.004	0.0158	0.0158
Entamoeba histolytica	hypothetical protein	0.0031	0.007	1
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0055	0.0301	0.0696
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0034	0.0034
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.0158	0.0149
Leishmania major	cytochrome p450-like protein	0.0055	0.0301	1
Echinococcus multilocularis	chaperonin containing TCP1, subunit 2 (beta)	0.0025	0.0009	0.0009
Echinococcus granulosus	geminin	0.0205	0.1732	0.1732
Brugia malayi	beta-lactamase	0.004	0.0158	0.0149
Loa Loa (eye worm)	cytochrome P450 family protein	0.0055	0.0301	0.0292
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.0325	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0363	0.3245	0.3239
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0158	0.0158
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0025	0.0009	0.0009
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0025	0.0009	0.0009
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.0325	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0044	0.0035
Schistosoma mansoni	hypothetical protein	0.035	0.3124	0.3124
Echinococcus multilocularis	GPCR, family 2	0.0028	0.0044	0.0044
Entamoeba histolytica	hypothetical protein	0.0031	0.007	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0244	0.0235
Trichomonas vaginalis	glutaminase, putative	0.0254	0.2208	1
Giardia lamblia	Ceramide glucosyltransferase	0.0485	0.441	1
Onchocerca volvulus	Huntingtin homolog	0.0363	0.3245	0.3137
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0189	0.0189
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0058	0.0325	0.0325
Leishmania major	hypothetical protein, conserved	0.004	0.0158	0.5108
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.0464	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0629	0.062
Mycobacterium ulcerans	glutaminase	0.0254	0.2208	1
Brugia malayi	hypothetical protein	0.0031	0.007	0.0061
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.0464	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0358	0.0349
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0089	0.0629	0.062
Echinococcus multilocularis	geminin	0.0205	0.1732	0.1732
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0126	0.0981	0.0973
Schistosoma mansoni	hypothetical protein	0.0028	0.0044	0.0044
Toxoplasma gondii	ABC1 family protein	0.004	0.0158	1
Brugia malayi	mbt repeat family protein	0.0058	0.0325	0.0316
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1153	0.1145
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0034	0.0034
Echinococcus granulosus	beta LACTamase domain containing family member	0.004	0.0158	0.0158
Brugia malayi	hypothetical protein	0.0363	0.3245	0.3239
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0158	0.5108
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0591	0.0582
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0089	0.0629	0.062
Brugia malayi	latrophilin 2 splice variant baaae	0.0061	0.0358	0.0349
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0089	0.0629	0.062
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0028	0.0044	0.0035
Schistosoma mansoni	hypothetical protein	0.0205	0.1732	0.1732
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.0158	0.0149
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0126	0.0981	0.0981
Schistosoma mansoni	hypothetical protein	0.0205	0.1732	0.1732
Loa Loa (eye worm)	hypothetical protein	0.004	0.0158	0.0149
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0034	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0325	0.0316
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0227	0.1945	0.1945
Brugia malayi	follicle stimulating hormone receptor	0.023	0.197	0.1963
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0028	0.0044	0.0035
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1153	0.1145
Onchocerca volvulus	Huntingtin homolog	0.0363	0.3245	0.3137
Plasmodium vivax	hypothetical protein, conserved	0.004	0.0158	1
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0066	0.0401	0.0401
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0257	0.2231	1
Brugia malayi	Cytochrome P450 family protein	0.0055	0.0301	0.0292
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0126	0.0981	0.0981
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0058	0.0325	0.0325
Schistosoma mansoni	hypothetical protein	0.0028	0.0044	0.0044
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0028	0.0044	0.0044
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0066	0.0401	0.0401
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0031	0.007	0.007
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0066	0.0401	0.0401
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0217	0.0208
Loa Loa (eye worm)	glutaminase 2	0.0254	0.2208	0.2201
Schistosoma mansoni	hypothetical protein	0.0061	0.0358	0.0358
Echinococcus granulosus	histone acetyltransferase MYST2	0.0066	0.0401	0.0401
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0126	0.0981	0.0981
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0661	0.6098	0.6098
Trypanosoma cruzi	cytochrome P450, putative	0.0055	0.0301	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0031	0.007	0.007
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0189	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0363	0.3245	0.3239
Loa Loa (eye worm)	hypothetical protein	0.0141	0.112	0.1111
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0058	0.0325	0.0169
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0126	0.0981	0.0973
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0158	0.0678
Brugia malayi	PHD-finger family protein	0.003	0.0062	0.0052
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0126	0.0981	0.0981
Loa Loa (eye worm)	hypothetical protein	0.004	0.0158	0.0149
Schistosoma mansoni	hypothetical protein	0.0028	0.0044	0.0044
Loa Loa (eye worm)	MBCTL1	0.0066	0.0401	0.0392
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.023	0.197	0.1963
Echinococcus granulosus	GPCR family 2	0.0028	0.0044	0.0044
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0126	0.0981	0.0981
Brugia malayi	Cytochrome P450 family protein	0.0055	0.0301	0.0292
Schistosoma mansoni	glutaminase	0.0254	0.2208	0.2208
Loa Loa (eye worm)	glutaminase	0.0254	0.2208	0.2201
Brugia malayi	Bromodomain containing protein	0.0091	0.064	0.0632
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0158	0.5108
Schistosoma mansoni	hypothetical protein	0.0031	0.007	0.007
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0149	0.014
Echinococcus granulosus	chaperonin containing TCP1 subunit 2 beta	0.0025	0.0009	0.0009
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0028	0.0044	0.0044
Brugia malayi	MH2 domain containing protein	0.0144	0.1153	0.1145
Trypanosoma cruzi	cytochrome P450, putative	0.0055	0.0301	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0158	0.0149
Loa Loa (eye worm)	cytochrome P450 family protein	0.0055	0.0301	0.0292
Echinococcus granulosus	SAM and MBT domain containing protein	0.0058	0.0325	0.0325

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7079 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	8.1995 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (binding)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	100 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

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1408536

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 1295245