TDR Targets

Basic information

Technical information

TDR Targets ID: 1067845
Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cycl opropylacetamide
MW: 280.707 | Formula: C13H13ClN2O3
H donors: 1 H acceptors: 2 LogP: 1.58 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CN1C(=O)COc2c1cc(Cl)cc2)NC1CC1
InChi: 1S/C13H13ClN2O3/c14-8-1-4-11-10(5-8)16(13(18)7-19-11)6-12(17)15-9-2-3-9/h1,4-5,9H,2-3,6-7H2,(H,15,17)
InChiKey: OIEVZPCWXQCXSO-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

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-acetamide
2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)-N-cyclopropyl-acetamide
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-ethanamide
ZINC00218514
STOCK6S-07366

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
Loa Loa (eye worm)	hypothetical protein	0.001	0.0165	0.007
Echinococcus granulosus	bloom syndrome protein	0.0023	0.0645	0.2919
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0014	0.0299	0.0132
Trichomonas vaginalis	antibiotic synthetase, putative	0.0014	0.0299	0.0039
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0299	0.0132
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0034	0.1027	0.5
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0014	0.0299	0.0132
Toxoplasma gondii	propionate-CoA ligase	0.0014	0.0299	0.2039
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0014	0.0299	0.0036
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.1433	0.1284
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0165	0.007
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0046	0.1433	0.1284
Echinococcus multilocularis	bloom syndrome protein	0.0023	0.0645	0.2919
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.1433	0.1201
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.1258	0.1021
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0299	0.0219
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0014	0.0299	0.1061
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0299	0.0132
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0046	0.1433	0.1284
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0034	0.1027	0.1602
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0014	0.0299	0.0219
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0014	0.0299	0.0132
Trichomonas vaginalis	DNA helicase recq1, putative	0.0023	0.0645	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1433	0.1475
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1027	0.1025
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0138	0.4642	0.4497
Mycobacterium ulcerans	glutaminase	0.0267	0.9128	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1433	0.1475
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0014	0.0299	0.0036
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.1433	0.1475
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0014	0.0299	0.0219
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0154	0.5186	1
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0014	0.0299	0.2089
Toxoplasma gondii	hypothetical protein	0.0047	0.1469	1
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1962	0.206
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.1962	0.206
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0014	0.0299	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1433	0.1475
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.1433	0.1201
Brugia malayi	MH2 domain containing protein	0.0115	0.3849	0.4151
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.001	0.0165	0.034
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1962	0.206
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0299	0.0219
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0016	0.038	0.1112
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0014	0.0299	0.1061
Loa Loa (eye worm)	RecQ helicase	0.0023	0.0645	0.0601
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0138	0.4642	0.4497
Mycobacterium ulcerans	hypothetical protein	0.0046	0.1433	0.1284
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1027	0.1025
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0962	0.147
Echinococcus granulosus	tar DNA binding protein	0.0061	0.1962	1
Mycobacterium ulcerans	hypothetical protein	0.0154	0.5186	0.5535
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.1433	0.1201
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0014	0.0299	0.0132
Onchocerca volvulus		0.0046	0.1433	1
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0041	0.1258	0.1021
Schistosoma mansoni	glutaminase	0.0267	0.9128	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0115	0.3849	0.4151
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0014	0.0299	0.0132
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.001	0.0165	0.007
Entamoeba histolytica	acyl-coA synthetase, putative	0.0046	0.1433	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1027	0.1025
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0014	0.0299	0.0132
Brugia malayi	Bloom's syndrome protein homolog	0.0023	0.0645	0.0601
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.1962	0.206
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1962	0.206
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0299	0.0219
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0014	0.0299	0.2039
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.1433	0.1475
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0165	0.1125
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.1433	0.1284
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0299	0.0219
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0046	0.1433	1
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0014	0.0299	0.0036
Loa Loa (eye worm)	oxidoreductase	0.0014	0.0299	0.0219
Schistosoma mansoni	DNA helicase recq1	0.001	0.0165	0.007
Brugia malayi	TAR-binding protein	0.0061	0.1962	0.206
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0046	0.1433	0.1284
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0014	0.0299	0.0036
Leishmania major	acetyl-CoA synthetase, putative	0.0014	0.0299	0.0036
Loa Loa (eye worm)	glutaminase	0.0267	0.9128	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0299	0.0132
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.1962	0.206
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0962	0.147
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0014	0.0299	0.0132
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.1433	0.1475
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0299	0.0219
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0014	0.0299	0.2039
Schistosoma mansoni	acetyl-CoA synthetase	0.0014	0.0299	0.0219
Plasmodium vivax	acyl-CoA synthetase, putative	0.0034	0.1027	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0034	0.1027	0.0825
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0962	0.147
Giardia lamblia	Sgs1 DNA helicase, putative	0.001	0.0165	0.5
Schistosoma mansoni	DNA helicase recq5	0.001	0.0165	0.007
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.001	0.0165	0.034
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.0546	0.4412
Trichomonas vaginalis	glutaminase, putative	0.0267	0.9128	1
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.1962	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0046	0.1433	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0046	0.1433	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0046	0.1433	0.1284
Entamoeba histolytica	recQ family helicase, putative	0.0013	0.0264	0.1845
Loa Loa (eye worm)	hypothetical protein	0.0118	0.3939	0.4251
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0014	0.0299	0.0219
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.005	0.1571	0.1342
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0165	0.1125
Trichomonas vaginalis	antibiotic synthetase, putative	0.0014	0.0299	0.0039
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.001	0.0165	0.034
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.1258	0.1021
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0165	0.007
Schistosoma mansoni	blooms syndrome DNA helicase	0.0018	0.0473	0.0411
Plasmodium falciparum	acyl-CoA synthetase	0.0034	0.1027	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0016	0.0374	0.2545
Brugia malayi	RNA binding protein	0.0061	0.1962	0.206
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.1433	0.1284
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1027	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1027	0.1025
Loa Loa (eye worm)	glutaminase 2	0.0267	0.9128	1
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.001	0.0165	0.034
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0299	0.0219
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0014	0.0299	0.0036
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0041	0.1258	0.1021
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0014	0.0299	0.0036
Trichomonas vaginalis	DNA helicase recq, putative	0.0023	0.0645	0.0429
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1962	0.206
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0138	0.4642	0.4497
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.1962	0.206
Loa Loa (eye worm)	RNA binding protein	0.0061	0.1962	0.206
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0014	0.0299	0.1556
Brugia malayi	glutaminase DH11.1	0.0267	0.9128	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0962	0.147
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0046	0.1433	0.2422
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0046	0.1433	0.2422
Loa Loa (eye worm)	MH2 domain-containing protein	0.0115	0.3849	0.4151
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0299	0.0132
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0299	0.0219
Leishmania major	acetyl-CoA synthetase, putative	0.0014	0.0299	0.0036
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0046	0.1433	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.6891 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

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: CHEMBL1867834

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1067845