TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 733.68 | Formula: C39H42Cl2N4O6
H donors: 3 H acceptors: 6 LogP: 4.57 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: O=C(C[N+]12CC[N+](CC1)(CC2)Cc1ccc2c(c1)C(=O)c1c2cc(cc1)C1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)NCc1ccccc1.[Cl-].[Cl-]
InChi: 1S/C39H40N4O6.2ClH/c1-23-33(36(39(48)49)41-35(23)34(24(2)44)38(41)47)27-9-11-29-30(19-27)28-10-8-26(18-31(28)37(29)46)21-42-12-15-43(16-13-42,17-14-42)22-32(45)40-20-25-6-4-3-5-7-25;;/h3-11,18-19,23-24,34-35,44H,12-17,20-22H2,1-2H3;2*1H/t23-,24+,34+,35+,42?,43?;;/m0../s1
InChiKey: MYEXHAHXYPOSLT-GMCPGQSYSA-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
Staphylococcus aureus	PBP2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_129763	All targets in OG5_129763
Mycobacterium tuberculosis	Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase	Get druggable targets OG5_129763	All targets in OG5_129763
Treponema pallidum	penicillin-binding protein (pbp-2)	Get druggable targets OG5_129763	All targets in OG5_129763
Neospora caninum	hypothetical protein	Get druggable targets OG5_129763	All targets in OG5_129763
Mycobacterium leprae	PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE	Get druggable targets OG5_129763	All targets in OG5_129763
Mycobacterium ulcerans	bifunctional penicillin-binding protein 1A/1B PonA1	Get druggable targets OG5_129763	All targets in OG5_129763

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium ulcerans	bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2	PBP2	727 aa	587 aa	23.2 %
Mycobacterium leprae	PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN	PBP2	727 aa	593 aa	22.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0052	0.016
Brugia malayi	Dopamine receptor	0.0031	0.004	0.0471
Brugia malayi	MBOAT family protein	0.0084	0.0249	0.2972
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Plasmodium falciparum	ataxin-2 like protein, putative	0.0049	0.0112	0.4468
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.0001	0.0001
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0031	0.004	0.004
Brugia malayi	hypothetical protein	0.0031	0.004	0.0471
Schistosoma mansoni	hypothetical protein	0.0031	0.004	0.012
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.004	0.012
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.004	0.004
Trypanosoma cruzi	PAB1-binding protein , putative	0.0049	0.0112	0.3417
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0125	0.0406	0.124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Schistosoma mansoni	growth hormone secretagogue receptor	0.0031	0.004	0.012
Brugia malayi	GnHR receptor homolog	0.0031	0.004	0.0471
Echinococcus multilocularis	multidrug resistance protein 1	0.0021	0.0001	0.0001
Echinococcus multilocularis	somatostatin receptor	0.0031	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Brugia malayi	ORL1-like opioid receptor	0.0031	0.004	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0031	0.004	0.0471
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.0371	0.1131
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0031	0.004	0.1597
Echinococcus granulosus	neuropeptide Y receptor	0.0031	0.004	0.004
Onchocerca volvulus		0.0031	0.004	0.0471
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0125	0.0406	0.0406
Schistosoma mansoni	zinc finger protein	0.0084	0.0249	0.0757
Schistosoma mansoni	biogenic amine receptor	0.0031	0.004	0.012
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Loa Loa (eye worm)	hhat protein	0.0084	0.0249	0.0759
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.004	0.012
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Echinococcus multilocularis	multidrug resistance protein 1	0.0021	0.0001	0.0001
Brugia malayi	G-protein coupled receptor	0.0031	0.004	0.0471
Onchocerca volvulus		0.0031	0.004	0.0471
Schistosoma mansoni	hypothetical protein	0.0031	0.004	0.012
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0049	0.0581
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0084	0.0249	0.0249
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0031	0.004	0.012
Echinococcus multilocularis	g protein coupled receptor	0.0031	0.004	0.004
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsI	0.0057	0.0144	0.5
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0084	0.0249	1
Mycobacterium tuberculosis	Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase	0.0196	0.0683	0.7903
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0031	0.004	0.0471
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0031	0.004	0.0122
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0031	0.004	0.1597
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0031	0.004	0.004
Onchocerca volvulus		0.0034	0.0052	0.0617
Echinococcus granulosus	sex peptide receptor	0.0031	0.004	0.004
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.004	0.012
Echinococcus granulosus	sterol O acyltransferase 1	0.0864	0.3277	0.3277
Echinococcus granulosus	tm gpcr rhodopsin	0.0031	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0864	0.3277	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0031	0.004	0.004
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0047	0.0105	0.0641
Echinococcus granulosus	g protein coupled receptor	0.0031	0.004	0.004
Schistosoma mansoni	hypothetical protein	0.0166	0.0564	0.172
Echinococcus granulosus	orexin receptor type 2	0.0031	0.004	0.004
Trichomonas vaginalis	porcupine, putative	0.0084	0.0249	0.1525
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.0001	0.0001
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.004	0.012
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0084	0.0249	0.0759
Trypanosoma cruzi	glycerol uptake protein, putative	0.0084	0.0249	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0125	0.0406	0.0406
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.004	0.004
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0269	0.0818
Mycobacterium tuberculosis	Possible penicillin-binding lipoprotein	0.0057	0.0144	0.1661
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0031	0.004	0.012
Echinococcus multilocularis	neuropeptide Y receptor	0.0031	0.004	0.004
Leishmania major	hypothetical protein, conserved	0.0049	0.0112	0.4468
Echinococcus granulosus	neuropeptide receptor	0.0031	0.004	0.004
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0031	0.004	0.0471
Brugia malayi	Pax transcription factor protein 2	0.0235	0.0835	1
Schistosoma mansoni	cathepsin D (A01 family)	0.014	0.0464	0.1412
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0031	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Echinococcus multilocularis	neuropeptide receptor A26	0.0031	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Plasmodium vivax	plasmepsin IV, putative	0.0047	0.0105	0.42
Onchocerca volvulus		0.0031	0.004	0.0471
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0031	0.004	0.012
Echinococcus granulosus	7TM GPCR rhodopsin	0.0031	0.004	0.004
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.004	0.004
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0022	0.0006	0.0006
Brugia malayi	MBOAT family protein	0.0084	0.0249	0.2972
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0084	0.0249	0.1525
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0269	0.0269
Brugia malayi	sulfakinin receptor protein	0.0031	0.004	0.0471
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0031	0.004	0.004
Onchocerca volvulus		0.0034	0.0052	0.0617
Schistosoma mansoni	myosin xvIII	0.0031	0.004	0.012
Brugia malayi	hypothetical protein	0.0035	0.0058	0.068
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0031	0.004	0.0121
Onchocerca volvulus		0.0034	0.0052	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Toxoplasma gondii	hypothetical protein	0.0084	0.0249	0.051
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0021	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Schistosoma mansoni	hypothetical protein	0.0031	0.004	0.012
Leishmania major	glycerol uptake protein, putative	0.0084	0.0249	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0031	0.004	0.004
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0084	0.0249	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0049	0.0112	0.4468
Schistosoma mansoni	biogenic amine receptor	0.0031	0.004	0.012
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.004	0.012
Leishmania major	glycerol uptake protein, putative	0.0084	0.0249	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0058	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0001	0.0003
Schistosoma mansoni	amine GPCR	0.0031	0.004	0.012
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0031	0.004	0.012
Echinococcus granulosus	g-protein coupled receptor	0.0031	0.004	0.004
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0001	0.0003
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0084	0.0249	0.0249
Leishmania major	glycerol uptake protein, putative	0.0084	0.0249	1
Echinococcus granulosus	multidrug resistance protein 1	0.0021	0.0001	0.0001
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0109	0.1293
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0031	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0105	0.032
Mycobacterium tuberculosis	Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen	0.0243	0.0864	1
Brugia malayi	G-protein coupled receptor	0.0031	0.004	0.0471
Chlamydia trachomatis	transglycolase/transpeptidase	0.0057	0.0144	1
Onchocerca volvulus		0.0034	0.0052	0.0617
Schistosoma mansoni	hypothetical protein	0.0035	0.0058	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0049	0.015
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0031	0.004	0.004
Schistosoma mansoni	neuropeptide receptor	0.0031	0.004	0.012
Schistosoma mansoni	opsin-like receptor	0.0031	0.004	0.012
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0031	0.004	0.0122
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0031	0.004	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0031	0.004	0.0471
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0031	0.004	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Plasmodium falciparum	plasmepsin VI	0.0047	0.0105	0.42
Echinococcus granulosus	neuropeptide receptor	0.0031	0.004	0.004
Entamoeba histolytica	hypothetical protein	0.0035	0.0058	0.2287
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.004	0.004
Echinococcus granulosus	allatostatin A receptor	0.0031	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0249	0.0759
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.004	0.004
Brugia malayi	Isocitrate dehydrogenase	0.0031	0.004	0.0475
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0031	0.004	0.004
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0084	0.0249	0.0249
Brugia malayi	Serotonin receptor	0.0031	0.004	0.0471
Brugia malayi	RE15519p	0.0031	0.004	0.0471
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0269	0.0269
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0084	0.0249	0.0249
Brugia malayi	Hhat protein	0.0084	0.0249	0.2972
Mycobacterium ulcerans	bifunctional penicillin-binding protein 1A/1B PonA1	0.0439	0.1626	1
Onchocerca volvulus		0.0084	0.0249	0.2972
Brugia malayi	Dopamine receptor protein 2	0.0031	0.004	0.0471
Echinococcus granulosus	serotonin receptor	0.0031	0.004	0.004
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0031	0.004	0.0122
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0031	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0112	0.0341
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0125	0.0406	0.0406
Onchocerca volvulus		0.0031	0.004	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Brugia malayi	G protein-coupled receptor	0.0031	0.004	0.0471
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0058	0.0058
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0031	0.004	0.004
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.004	0.004
Schistosoma mansoni	cathepsin D (A01 family)	0.014	0.0464	0.1412
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0031	0.004	0.012
Brugia malayi	Dopamine receptor protein 1	0.0031	0.004	0.0471
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0031	0.004	0.0459
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0031	0.004	0.004
Schistosoma mansoni	neuropeptide receptor	0.0031	0.004	0.012
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Schistosoma mansoni	adenoreceptor	0.0031	0.004	0.012
Brugia malayi	hypothetical protein	0.0031	0.004	0.0471
Brugia malayi	hypothetical protein	0.0031	0.004	0.0471
Schistosoma mansoni	sterol O-acyltransferase 1	0.0864	0.3277	1
Brugia malayi	hypothetical protein	0.0031	0.004	0.0471
Brugia malayi	G protein-coupled receptor F59B2.13	0.0031	0.004	0.0471
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0084	0.0249	0.0249
Entamoeba histolytica	hypothetical protein	0.0035	0.0058	0.2287
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Schistosoma mansoni	histamine h1 receptor	0.0031	0.004	0.012
Schistosoma mansoni	neuropeptide receptor	0.0031	0.004	0.012
Echinococcus multilocularis	neuropeptides capa receptor	0.0031	0.004	0.004
Echinococcus granulosus	fmrfamide receptor	0.0031	0.004	0.004
Brugia malayi	MH2 domain containing protein	0.0116	0.0371	0.4434
Schistosoma mansoni	hypothetical protein	0.0031	0.004	0.012
Echinococcus granulosus	neuropeptide FF receptor 2	0.0031	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Schistosoma mansoni	neuropeptide F-like receptor	0.0031	0.004	0.012
Loa Loa (eye worm)	neuropeptide F receptor	0.0031	0.004	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0031	0.004	0.004
Loa Loa (eye worm)	multidrug resistance protein 3	0.0021	0.0001	0.0003
Brugia malayi	hypothetical protein	0.0031	0.004	0.0471
Echinococcus granulosus	G protein coupled receptor 139	0.0031	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0031	0.004	0.012
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0047	0.0105	0.0318
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0269	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.004	0.004
Echinococcus granulosus	neuropeptide s receptor	0.0031	0.004	0.004
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0084	0.0249	0.0757
Brugia malayi	MBOAT family protein	0.0084	0.0249	0.2972
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0084	0.0249	0.0249
Echinococcus granulosus	neuropeptides capa receptor	0.0031	0.004	0.004
Toxoplasma gondii	isocitrate dehydrogenase	0.0031	0.004	0.0081
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Echinococcus multilocularis	fmrfamide receptor	0.0031	0.004	0.004
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0031	0.004	0.012
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Echinococcus multilocularis	G protein coupled receptor 139	0.0031	0.004	0.004
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0084	0.0249	0.0249
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.004	0.012
Trypanosoma cruzi	glycerol uptake protein, putative	0.0084	0.0249	1
Loa Loa (eye worm)	hhat protein	0.0084	0.0249	0.0759
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0084	0.0249	1
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0084	0.0249	0.0249
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.004	0.004
Echinococcus multilocularis	sex peptide receptor	0.0031	0.004	0.004
Brugia malayi	diacylglycerol acyltransferase	0.0084	0.0249	0.2972
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0084	0.0249	0.0757
Brugia malayi	MBOAT family protein	0.0084	0.0249	0.2972
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.009	0.0269	0.0821
Entamoeba histolytica	hypothetical protein	0.0084	0.0249	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.009	0.0269	0.3214
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0031	0.004	0.0471
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0031	0.004	0.004
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0084	0.0249	0.0249
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0031	0.004	0.012
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0031	0.004	0.004
Brugia malayi	isocitrate dehydrogenase	0.0031	0.004	0.0475
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.0001	0.0001
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.004	0.012
Echinococcus multilocularis	g protein coupled receptor	0.0031	0.004	0.004
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0125	0.0406	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Toxoplasma gondii	isocitrate dehydrogenase	0.0031	0.004	0.0081
Echinococcus granulosus	hypothetical protein	0.0031	0.004	0.004
Chlamydia trachomatis	transglycolase/transpeptidase	0.0057	0.0144	1
Brugia malayi	hypothetical protein	0.0049	0.0112	0.1328
Echinococcus granulosus	7tm_1 domain containing protein	0.0031	0.004	0.004
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.004	0.004
Brugia malayi	putative neuropeptide receptor NPR1	0.0031	0.004	0.0471
Brugia malayi	MBOAT family protein	0.0084	0.0249	0.2972
Onchocerca volvulus		0.0031	0.004	0.0471
Brugia malayi	hypothetical protein	0.0031	0.004	0.0471
Onchocerca volvulus		0.0031	0.004	0.0471
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0084	0.0249	0.0757
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0084	0.0249	0.0757
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.0001	0.0001
Echinococcus granulosus	g protein coupled receptor	0.0031	0.004	0.004
Trichomonas vaginalis	conserved hypothetical protein	0.0084	0.0249	0.1525
Trichomonas vaginalis	conserved hypothetical protein	0.0084	0.0249	0.1525
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.0371	0.1131
Mycobacterium leprae	PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN	0.0243	0.0864	0.4857
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.004	0.004
Echinococcus multilocularis	isocitrate dehydrogenase	0.0031	0.004	0.004
Echinococcus multilocularis	dro:myosuppressin receptor	0.0031	0.004	0.004
Trypanosoma brucei	PAB1-binding protein , putative	0.0049	0.0112	0.3417
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0109	0.1293
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0031	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Brugia malayi	hypothetical protein	0.0031	0.004	0.0471
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0269	0.0818
Trichomonas vaginalis	conserved hypothetical protein	0.0084	0.0249	0.1525
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0021	0.0001	0.0001
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0031	0.004	0.0122
Echinococcus multilocularis	serotonin receptor	0.0031	0.004	0.004
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0031	0.004	0.004
Trypanosoma cruzi	GUP1, putative	0.0084	0.0249	1
Brugia malayi	putative neuropeptide receptor	0.0031	0.004	0.0471
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0034	0.0052	0.0617
Onchocerca volvulus		0.0034	0.0052	0.0617
Brugia malayi	Melatonin receptor type 1A	0.0031	0.004	0.0471
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0047	0.0105	0.032
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0022	0.0006	0.0006
Echinococcus multilocularis	serotonin receptor	0.0031	0.004	0.004
Brugia malayi	hypothetical protein	0.0031	0.004	0.0471
Echinococcus multilocularis	neuropeptide s receptor	0.0031	0.004	0.004
Onchocerca volvulus		0.0031	0.004	0.0471
Plasmodium falciparum	plasmepsin II	0.0047	0.0105	0.42
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0034	0.0052	0.016
Echinococcus granulosus	somatostatin receptor	0.0031	0.004	0.004
Plasmodium falciparum	plasmepsin IV	0.0047	0.0105	0.42
Toxoplasma gondii	LsmAD domain-containing protein	0.0049	0.0112	0.0228
Echinococcus granulosus	neuropeptide Y receptor	0.0031	0.004	0.004
Loa Loa (eye worm)	melatonin receptor type 1A	0.0031	0.004	0.0122
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0031	0.004	0.004
Echinococcus granulosus	neuropeptides capa receptor	0.0031	0.004	0.004
Schistosoma mansoni	hypothetical protein	0.0033	0.0049	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.004	0.012
Brugia malayi	neuropeptide F receptor	0.0031	0.004	0.0471
Echinococcus granulosus	biogenic amine 5HT receptor	0.0031	0.004	0.004
Toxoplasma gondii	1,3-beta-glucan synthase component protein	0.127	0.4858	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0031	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0249	0.0759
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.2593	1	1
Schistosoma mansoni	hypothetical protein	0.0084	0.0249	0.0757
Echinococcus granulosus	biogenic amine 5HT receptor	0.0031	0.004	0.004
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.004	0.004
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0084	0.0249	0.0249
Schistosoma mansoni	amine GPCR	0.0031	0.004	0.012
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0084	0.0249	0.051
Loa Loa (eye worm)	neuropeptide F receptor	0.0031	0.004	0.0122
Brugia malayi	follicle stimulating hormone receptor	0.0031	0.004	0.0471
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0125	0.0406	0.1238
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.004	0.012
Echinococcus granulosus	multidrug resistance protein 1	0.0021	0.0001	0.0001
Trypanosoma cruzi	PAB1-binding protein , putative	0.0049	0.0112	0.3417
Schistosoma mansoni	amine GPCR	0.0031	0.004	0.012
Echinococcus granulosus	geminin	0.0166	0.0564	0.0564
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0047	0.0105	0.0105
Plasmodium falciparum	plasmepsin I	0.0047	0.0105	0.42
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Schistosoma mansoni	neuropeptide f receptor 76f	0.0031	0.004	0.012
Onchocerca volvulus		0.0031	0.004	0.0471
Echinococcus multilocularis	g-protein coupled receptor	0.0031	0.004	0.004
Onchocerca volvulus		0.0031	0.004	0.0471
Loa Loa (eye worm)	MBOAT family protein	0.0084	0.0249	0.0759
Schistosoma mansoni	biogenic amine receptor	0.0031	0.004	0.012
Brugia malayi	Serotonin receptor	0.0031	0.004	0.0471
Trypanosoma brucei	glycerol uptake protein, putative	0.0084	0.0249	1
Loa Loa (eye worm)	TYRA-2 protein	0.0031	0.004	0.0122
Brugia malayi	neuropeptide F receptor	0.0031	0.004	0.0471
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0031	0.004	0.012
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0084	0.0249	0.0249
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0031	0.004	0.004
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0031	0.004	0.012
Echinococcus granulosus	tm gpcr rhodopsin	0.0031	0.004	0.004
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0021	0.0001	0.0001
Trypanosoma brucei	glycerol uptake protein, putative	0.0084	0.0249	1
Echinococcus multilocularis	g protein coupled receptor	0.0031	0.004	0.004
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0109	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0031	0.004	0.004
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0084	0.0249	0.0249
Loa Loa (eye worm)	MBOAT family protein	0.0084	0.0249	0.0759
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0031	0.004	0.004
Echinococcus multilocularis	geminin	0.0166	0.0564	0.0564
Echinococcus multilocularis	neuropeptide Y receptor	0.0031	0.004	0.004
Echinococcus granulosus	multidrug resistance protein 1	0.0021	0.0001	0.0001
Onchocerca volvulus		0.0034	0.0052	0.0617
Mycobacterium ulcerans	bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2	0.0243	0.0864	0.4857
Leishmania major	hypothetical protein, conserved	0.0084	0.0249	1
Trichomonas vaginalis	conserved hypothetical protein	0.0439	0.1626	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0031	0.004	0.012
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0031	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0269	0.0818
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0269	0.0269
Echinococcus multilocularis	neuropeptide receptor	0.0031	0.004	0.004
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0031	0.004	0.0471
Leishmania major	glycerol uptake protein, putative	0.0084	0.0249	1
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0084	0.0249	0.0249
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0084	0.0249	0.0757
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0031	0.004	0.012
Onchocerca volvulus		0.0031	0.004	0.0471
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0031	0.004	0.0471
Onchocerca volvulus		0.0034	0.0052	0.0617
Entamoeba histolytica	hypothetical protein, conserved	0.0084	0.0249	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0031	0.004	0.0122
Trypanosoma cruzi	GUP1, putative	0.0084	0.0249	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0031	0.004	0.004
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0031	0.004	0.004
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0058	0.0173
Leishmania major	glycerol uptake protein, putative	0.0084	0.0249	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0031	0.004	0.004
Entamoeba histolytica	hypothetical protein	0.0035	0.0058	0.2287
Onchocerca volvulus		0.0235	0.0835	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0249	0.0759
Plasmodium vivax	ataxin-2 like protein, putative	0.0049	0.0112	0.4468
Echinococcus granulosus	g protein coupled receptor	0.0031	0.004	0.004
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0034	0.0052	0.0617
Echinococcus multilocularis	fmrfamide receptor	0.0031	0.004	0.004
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0031	0.004	0.012
Schistosoma mansoni	amine GPCR	0.0031	0.004	0.012
Schistosoma mansoni	opsin-like receptor	0.0031	0.004	0.012
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Trypanosoma cruzi	glycerol uptake protein, putative	0.0084	0.0249	1
Treponema pallidum	penicillin-binding protein (pbp-2)	0.0439	0.1626	1
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0047	0.0105	0.0214
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Mycobacterium leprae	PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE	0.0439	0.1626	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0031	0.004	0.0122
Onchocerca volvulus		0.0034	0.0052	0.0617
Onchocerca volvulus		0.0031	0.004	0.0471
Schistosoma mansoni	neuropeptide receptor	0.0031	0.004	0.012
Brugia malayi	hypothetical protein	0.0031	0.004	0.0471
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0031	0.004	0.0471
Onchocerca volvulus		0.0031	0.004	0.0471
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0084	0.0249	0.0249
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0084	0.0249	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0031	0.004	0.004
Plasmodium vivax	aspartyl proteinase, putative	0.0047	0.0105	0.42
Onchocerca volvulus		0.0031	0.004	0.0471
Schistosoma mansoni	hypothetical protein	0.0166	0.0564	0.172
Onchocerca volvulus		0.0031	0.004	0.0471
Schistosoma mansoni	opsin-like receptor	0.0031	0.004	0.012
Mycobacterium tuberculosis	Probable penicillin-binding protein PbpA	0.0057	0.0144	0.1661
Schistosoma mansoni	amine GPCR	0.0031	0.004	0.012
Brugia malayi	hypothetical protein	0.0032	0.0044	0.0517
Loa Loa (eye worm)	hypothetical protein	0.0779	0.295	0.9
Onchocerca volvulus		0.0031	0.004	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0109	0.0332
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0084	0.0249	0.051
Entamoeba histolytica	hypothetical protein	0.0035	0.0058	0.2287
Echinococcus multilocularis	orexin receptor type 2	0.0031	0.004	0.004
Brugia malayi	hypothetical protein	0.0031	0.004	0.0471
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0031	0.004	0.004
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0031	0.004	0.012
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0084	0.0249	0.0759
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0125	0.0406	0.4862
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0047	0.0105	0.0105
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0031	0.004	0.004
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0021	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Echinococcus multilocularis	sterol O acyltransferase 1	0.0864	0.3277	0.3277
Brugia malayi	AKH receptor	0.0031	0.004	0.0471
Schistosoma mansoni	hypothetical protein	0.0022	0.0006	0.0017
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0031	0.004	0.012
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.004	0.004
Echinococcus granulosus	dro:myosuppressin receptor	0.0031	0.004	0.004
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0084	0.0249	0.0249
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0084	0.0249	1
Loa Loa (eye worm)	MBOAT family protein	0.0084	0.0249	0.0759
Schistosoma mansoni	neuropeptide F-like receptor	0.0031	0.004	0.012
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Loa Loa (eye worm)	pax transcription factor protein 2	0.0235	0.0835	0.2548
Loa Loa (eye worm)	hypothetical protein	0.0031	0.004	0.0122
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0031	0.004	0.004
Echinococcus multilocularis	neuropeptide receptor	0.0031	0.004	0.004
Onchocerca volvulus		0.0031	0.004	0.0471
Echinococcus multilocularis	allatostatin A receptor	0.0031	0.004	0.004
Brugia malayi	larval opioid receptor	0.0031	0.004	0.0471
Toxoplasma gondii	aspartyl protease ASP1	0.0047	0.0105	0.0214
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0031	0.004	0.1597
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0084	0.0249	0.0757
Entamoeba histolytica	vacuolar protein sorting 26	0.0084	0.0249	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0031	0.004	0.012
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0034	0.0052	0.0617
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0021	0.0001	0.0001
Treponema pallidum	alginate O-acetylation protein (algI)	0.0084	0.0249	0.0705
Echinococcus granulosus	neuropeptide receptor A26	0.0031	0.004	0.004
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0084	0.0249	0.0249
Onchocerca volvulus		0.0031	0.004	0.0471

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.97 ug ml-1	Binding affinity against PBP2a receptor by competition analysis with [3H]-benzylpenicillin using cell membrane fractions from the MRSA COL strain.	ChEMBL.	10576693

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.

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External resources for this compound

ChEMBL: CHEMBL1626918

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1463724