TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 347.406 | Formula: C19H25NO5
H donors: 0 H acceptors: 1 LogP: 3.35 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: C[C@@H]1CC[C@@H]2[C@@]34[C@H]1CC[C@@](OO3)(O[C@H]4N(C(=O)[C@@H]2C)c1ccco1)C
InChi: 1S/C19H25NO5/c1-11-6-7-14-12(2)16(21)20(15-5-4-10-22-15)17-19(14)13(11)8-9-18(3,23-17)24-25-19/h4-5,10-14,17H,6-9H2,1-3H3/t11-,12-,13+,14+,17-,18-,19-/m1/s1
InChiKey: SPQAXOKESMSRHK-CDRIZAFTSA-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

No curated genes were found associated with this compound

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
Echinococcus granulosus	Niemann Pick C1 protein	0.0111	0.0616	0.1663
Echinococcus multilocularis	acetylcholinesterase	0.0444	0.2657	0.2657
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0055	0.0195
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0075	0.0392	1
Brugia malayi	CHE-14 protein	0.0048	0.0225	0.0848
Trypanosoma cruzi	hypothetical protein, conserved	0.0011	0	0.5
Schistosoma mansoni	patched 1	0.0048	0.0225	0.0608
Schistosoma mansoni	glutaminase	0.0243	0.1426	0.385
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.0096	0.0676
Schistosoma mansoni	BC026374 protein (S09 family)	0.0075	0.0392	0.1059
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.0096	0.1406
Echinococcus granulosus	geminin	0.0192	0.1109	0.2996
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0392	0.1476
Schistosoma mansoni	hypothetical protein	0.0046	0.0215	0.058
Onchocerca volvulus		0.0075	0.0392	1
Schistosoma mansoni	chromosome transmission fidelity factor	0.0011	0.00000034517	0.00000093206
Echinococcus granulosus	carboxylesterase 5A	0.0444	0.2657	0.7174
Loa Loa (eye worm)	hypothetical protein	0.002	0.0055	0.0206
Brugia malayi	Carboxylesterase family protein	0.0075	0.0392	0.1476
Echinococcus granulosus	Niemann Pick C1 protein	0.0159	0.091	0.2456
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0111	0.0616	1
Echinococcus granulosus	Protein patched homolog 1	0.0048	0.0225	0.0608
Trypanosoma cruzi	FHA domain containing protein, putative	0.0011	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0444	0.2657	1
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0096	0.0363
Onchocerca volvulus		0.0075	0.0392	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.002	0.0055	1
Echinococcus granulosus	BC026374 protein S09 family	0.0075	0.0392	0.1059
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0096	0.5
Treponema pallidum	DNA ligase (lig)	0.0011	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0096	0.0363
Onchocerca volvulus		0.0075	0.0392	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0096	0.0676
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0011	0	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0075	0.0392	0.1059
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0392	0.1476
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0096	0.0676
Schistosoma mansoni	hypothetical protein	0.0192	0.1109	0.2996
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.0096	0.0676
Echinococcus multilocularis	Niemann Pick C1 protein	0.0159	0.091	0.091
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.0096	0.1406
Loa Loa (eye worm)	hypothetical protein	0.002	0.0055	0.0206
Schistosoma mansoni	acetylcholinesterase	0.0075	0.0392	0.1059
Echinococcus multilocularis	protein patched	0.0048	0.0225	0.0225
Schistosoma mansoni	hypothetical protein	0.0046	0.0215	0.058
Giardia lamblia	Replication factor C, subunit 1	0.0011	0.00000034517	0.5
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0075	0.0392	0.0392
Loa Loa (eye worm)	hypothetical protein	0.002	0.0055	0.0206
Onchocerca volvulus		0.0075	0.0392	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0048	0.0225	0.0848
Brugia malayi	Carboxylesterase family protein	0.0444	0.2657	1
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0011	0.00000034517	0.0000024211
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0096	0.5
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0392	0.1476
Schistosoma mansoni	hypothetical protein	0.0192	0.1109	0.2996
Plasmodium falciparum	acyl-CoA synthetase	0.002	0.0055	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0075	0.0392	0.1059
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0616	0.2318
Echinococcus granulosus	neuroligin	0.0075	0.0392	0.1059
Echinococcus granulosus	para nitrobenzyl esterase	0.0075	0.0392	0.1059
Loa Loa (eye worm)	acetylcholinesterase 1	0.0444	0.2657	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0075	0.0392	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0075	0.0392	1
Echinococcus multilocularis	carboxylesterase 5A	0.0444	0.2657	0.2657
Trichomonas vaginalis	spcc417.12 protein, putative	0.0075	0.0392	0.275
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0075	0.0392	0.1059
Echinococcus multilocularis	neuroligin	0.0075	0.0392	0.0392
Brugia malayi	Carboxylesterase family protein	0.0075	0.0392	0.1476
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0392	0.1476
Echinococcus multilocularis	expressed conserved protein	0.0105	0.0574	0.0574
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0444	0.2657	0.7174
Toxoplasma gondii	ATPase, AAA family protein	0.0011	0.00000034517	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.0096	0.0676
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0113	0.0626	0.1692
Echinococcus multilocularis	geminin	0.0192	0.1109	0.1109
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0075	0.0392	0.275
Echinococcus granulosus	acetylcholinesterase	0.0444	0.2657	0.7174
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.0096	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0392	0.1476
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.0096	0.0676
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0011	0.00000034517	0.0000056046
Trichomonas vaginalis	glutaminase, putative	0.0243	0.1426	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.0096	0.1565
Trypanosoma cruzi	hypothetical protein, conserved	0.0011	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0225	0.158
Loa Loa (eye worm)	glutaminase	0.0243	0.1426	0.5366
Echinococcus granulosus	microtubule associated protein 2	0.0614	0.3703	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0075	0.0392	0.1059
Onchocerca volvulus		0.0027	0.0096	0.2458
Schistosoma mansoni	hypothetical protein	0.0046	0.0215	0.058
Echinococcus multilocularis	microtubule associated protein 2	0.0614	0.3703	0.3703
Loa Loa (eye worm)	hypothetical protein	0.002	0.0055	0.0206
Onchocerca volvulus		0.0075	0.0392	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0096	0.0363
Echinococcus granulosus	replication factor c subunit 1	0.0011	0.00000034517	0.00000093206
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0011	0.00000034517	0.0000024211
Schistosoma mansoni	microtubule-associated protein tau	0.0614	0.3703	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0096	0.1565
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.002	0.0055	0.0384
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0096	0.5
Brugia malayi	glutaminase DH11.1	0.0243	0.1426	0.5366
Trichomonas vaginalis	replication factor C large subunit, putative	0.0011	0.00000034517	0.0000024211
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0392	0.1476
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0011	0	0.5
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0075	0.0392	0.1059
Echinococcus granulosus	sterol regulatory element binding protein	0.0048	0.0225	0.0608
Schistosoma mansoni	hypothetical protein	0.0046	0.0215	0.058
Loa Loa (eye worm)	carboxylesterase	0.0075	0.0392	0.1476
Echinococcus multilocularis	acetylcholinesterase	0.0444	0.2657	0.2657
Loa Loa (eye worm)	carboxylesterase	0.0444	0.2657	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0055	0.0206
Mycobacterium ulcerans	carboxylesterase, LipT	0.0075	0.0392	0.275
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0096	0.0676
Echinococcus granulosus	acetylcholinesterase	0.0444	0.2657	0.7174
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0392	0.1476
Echinococcus multilocularis	sterol regulatory element binding protein	0.0048	0.0225	0.0225
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0096	0.0363
Brugia malayi	Carboxylesterase family protein	0.0444	0.2657	1
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0096	0.0363
Echinococcus multilocularis	Niemann Pick C1 protein	0.0111	0.0616	0.0616
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0011	0	0.5
Echinococcus multilocularis	protein dispatched 1	0.0055	0.0267	0.0267
Echinococcus granulosus	expressed conserved protein	0.0105	0.0574	0.1551
Echinococcus multilocularis	para nitrobenzyl esterase	0.0075	0.0392	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0225	0.0848
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0096	0.0363
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0096	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0291	0.1097
Echinococcus multilocularis	replication factor c subunit 1	0.0011	0.00000034517	0.00000034517
Schistosoma mansoni	gliotactin	0.0075	0.0392	0.1059
Loa Loa (eye worm)	carboxylesterase	0.0075	0.0392	0.1476
Mycobacterium ulcerans	glutaminase	0.0243	0.1426	1
Loa Loa (eye worm)	glutaminase 2	0.0243	0.1426	0.5366
Brugia malayi	Carboxylesterase family protein	0.0075	0.0392	0.1476
Loa Loa (eye worm)	hypothetical protein	0.0444	0.2657	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.002	0.0055	1
Brugia malayi	hypothetical protein	0.0075	0.0392	0.1476
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0075	0.0392	0.0392
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0096	0.1565
Brugia malayi	Carboxylesterase family protein	0.0075	0.0392	0.1476
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.0096	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0111	0.0616	0.2318

Activities

No activities found for this compound.

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: CHEMBL3349756

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 938730