TDR Targets

Basic information

Technical information

TDR Targets ID: 331256
Name: (2R)-2-(carbamoylamino)-3-methylbutanoic acid
MW: 160.171 | Formula: C6H12N2O3
H donors: 3 H acceptors: 3 LogP: -0.07 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)N[C@@H](C(=O)O)C(C)C
InChi: 1S/C6H12N2O3/c1-3(2)4(5(9)10)8-6(7)11/h3-4H,1-2H3,(H,9,10)(H3,7,8,11)/t4-/m1/s1
InChiKey: JDXMIYHOSFNZKO-SCSAIBSYSA-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

(2R)-3-methyl-2-ureido-butanoic acid
(2R)-3-methyl-2-ureidobutanoic acid
(2R)-2-(aminocarbonylamino)-3-methyl-butanoic acid
(2R)-3-methyl-2-ureido-butyric acid
3-METHYL-2-UREIDO-BUTYRIC ACID
CDV
N-CARBAMYL-D-VALINE

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
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0016	0.0241	0.0665
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0016	0.0247	0.0247
Schistosoma mansoni	rab6-interacting	0.0044	0.0864	0.0864
Echinococcus granulosus	dna polymerase kappa	0.0045	0.0904	0.0844
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0247	0.0574
Schistosoma mansoni	DNA polymerase IV / kappa	0.0005	0.0000064291	0.0000064291
Echinococcus multilocularis	thymidylate synthase	0.0119	0.2545	0.2496
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.0599	0.2018
Loa Loa (eye worm)	thymidylate synthase	0.0119	0.2545	1
Schistosoma mansoni	DNA helicase recq5	0.001	0.0107	0.0107
Echinococcus granulosus	RUN	0.0044	0.0864	0.0804
Echinococcus multilocularis	cpg binding protein	0.0034	0.0639	0.0578
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0904	0.2492
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0167	0.3628	1
Schistosoma mansoni	lipoxygenase	0.0113	0.2415	0.2415
Mycobacterium ulcerans	DNA polymerase IV	0.0045	0.0904	0.3552
Echinococcus multilocularis	dnaJ subfamily B	0.0452	1	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0109	0.0044
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0016	0.0247	0.0183
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0904	0.2492
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0741	0.2042
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0026	0.0467	0.1287
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.041	0.113
Brugia malayi	hypothetical protein	0.0044	0.0864	0.3107
Echinococcus granulosus	L aminoadipate semialdehyde	0.0092	0.1944	0.1891
Trypanosoma brucei	unspecified product	0.0011	0.0136	0.0374
Brugia malayi	ImpB/MucB/SamB family protein	0.0016	0.0247	0.0578
Mycobacterium ulcerans	thymidylate synthase	0.0119	0.2545	1
Loa Loa (eye worm)	doublecortin family protein	0.0044	0.0864	0.3105
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0045	0.0904	0.2492
Echinococcus granulosus	dihydrofolate reductase	0.0048	0.0972	0.0913
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0167	0.3628	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0044	0.0864	0.0804
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0107	0.0004
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0092	0.1944	0.7537
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0092	0.1944	0.1944
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0904	0.2492
Entamoeba histolytica	recQ family helicase, putative	0.0013	0.0171	0.3657
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0904	0.2492
Trichomonas vaginalis	DNA helicase recq, putative	0.0024	0.0416	0.3325
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0057	0.1153	0.3177
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0171	0.0471
Giardia lamblia	DINP protein human, muc B family	0.0023	0.041	1
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0012	0.0163	0.045
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0167	0.3628	1
Echinococcus granulosus	cpg binding protein	0.0034	0.0639	0.0578
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0904	0.2492
Schistosoma mansoni	DNA polymerase eta	0.0016	0.0247	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0864	0.3105
Echinococcus multilocularis	dihydrofolate reductase	0.0048	0.0972	0.0913
Schistosoma mansoni	polycystin 1-related	0.0044	0.0864	0.0864
Echinococcus granulosus	lipoxygenase domain containing protein	0.0044	0.0864	0.0804
Trypanosoma brucei	DNA polymerase kappa, putative	0.0034	0.0657	0.1812
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0904	0.2492
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0048	0.0972	0.3819
Trypanosoma brucei	DNA polymerase kappa, putative	0.0034	0.0657	0.1812
Trypanosoma brucei	unspecified product	0.0038	0.0741	0.2042
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0045	0.0904	0.7747
Schistosoma mansoni	lipoxygenase	0.0191	0.4169	0.4169
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0167	0.3628	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0044	0.0864	0.0804
Schistosoma mansoni	blooms syndrome DNA helicase	0.0019	0.0306	0.0306
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0016	0.0247	0.0781
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0048	0.0972	0.243
Loa Loa (eye worm)	dihydrofolate reductase	0.0048	0.0972	0.3549
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0657	0.2258
Brugia malayi	Doublecortin family protein	0.0044	0.0864	0.3107
Entamoeba histolytica	hypothetical protein	0.0026	0.0467	1
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0171	0.0471
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.005	0.00000000081418
Trichomonas vaginalis	DNA polymerase eta, putative	0.0045	0.0904	0.7747
Trypanosoma brucei	DNA polymerase IV, putative	0.0045	0.0904	0.2492
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0026	0.0467	0.1287
Leishmania major	DNA polymerase kappa, putative	0.0023	0.041	0.113
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.005	0.00000000081418
Schistosoma mansoni	cpg binding protein	0.0032	0.0599	0.0599
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0864	0.3105
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0016	0.0247	0.5284
Trypanosoma cruzi	DNA polymerase eta, putative	0.0016	0.0247	0.068
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0107	0.0004
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0026	0.0467	0.5
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.001	0.0107	0.0042
Brugia malayi	hypothetical protein	0.0044	0.0864	0.3107
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0045	0.0904	0.2492
Brugia malayi	polk-prov protein	0.0034	0.0657	0.2261
Leishmania major	phosphopantetheinyl transferase-like protein	0.0026	0.0467	0.1287
Schistosoma mansoni	cpg binding protein	0.0034	0.0639	0.0639
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.001	0.0107	0.0042
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0107	0.0294
Trichomonas vaginalis	DNA helicase recq, putative	0.0013	0.0171	0.1097
Mycobacterium tuberculosis	Hypothetical protein	0.0057	0.1153	0.4414
Onchocerca volvulus		0.0092	0.1944	0.6912
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1944	0.7536
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.001	0.0107	0.0042
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0167	0.3628	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0067	0.1395	0.1395
Echinococcus multilocularis	Polycystic kidney disease protein	0.0044	0.0864	0.0804
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0026	0.0467	0.1835
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.001	0.0107	0.0294
Onchocerca volvulus		0.0119	0.2545	1
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0171	0.0471
Trypanosoma brucei	DNA polymerase IV, putative	0.0045	0.0904	0.2492
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0904	0.2492
Leishmania major	DNA polymerase eta, putative	0.0016	0.0247	0.068
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0167	0.3628	1
Plasmodium falciparum	LCCL domain-containing protein	0.0044	0.0864	0.2381
Plasmodium vivax	multidomain scavenger receptor, putative	0.0044	0.0864	0.2381
Brugia malayi	Dihydrofolate reductase	0.0048	0.0972	0.3551
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.005	0.00000000081418
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.001	0.0107	0.0042
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0119	0.2545	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0107	0.0294
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.005	0.00000000081418
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0904	0.2492
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0026	0.0467	0.1664
Schistosoma mansoni	cpg binding protein	0.0034	0.0639	0.0639
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0065	0.0065
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0299	0.0824
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0191	0.4169	0.4131
Echinococcus multilocularis	RUN	0.0044	0.0864	0.0804
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0109	0.0044
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.005	0.00000000081418
Trypanosoma brucei	unspecified product	0.0011	0.0136	0.0374
Onchocerca volvulus		0.0044	0.0864	0.1361
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0026	0.0467	0.1287
Brugia malayi	thymidylate synthase	0.0119	0.2545	1
Schistosoma mansoni	DNA helicase recq1	0.001	0.0107	0.0107
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.0352	0.0971
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0048	0.0972	0.369
Brugia malayi	hypothetical protein	0.0057	0.1153	0.4291
Echinococcus granulosus	thymidylate synthase	0.0119	0.2545	0.2496
Brugia malayi	dihydrofolate reductase family protein	0.0048	0.0972	0.3551
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0191	0.4169	0.4131
Echinococcus granulosus	lipoxygenase domain containing protein	0.0044	0.0864	0.0804
Onchocerca volvulus		0.0044	0.0864	0.1361
Echinococcus granulosus	Polycystic kidney disease protein	0.0044	0.0864	0.0804
Echinococcus multilocularis	dna polymerase kappa	0.0045	0.0904	0.0844
Loa Loa (eye worm)	hypothetical protein	0.0019	0.031	0.0832
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0045	0.0904	0.2492
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0299	0.0824
Trypanosoma brucei	DNA polymerase eta, putative	0.0016	0.0247	0.068
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.041	0.1435
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0299	0.0824
Toxoplasma gondii	histone lysine methyltransferase SET1	0.006	0.1234	0.3401
Trypanosoma brucei	hypothetical protein, conserved	0.0026	0.0467	0.1287
Echinococcus granulosus	dna polymerase eta	0.0016	0.0247	0.0183
Loa Loa (eye worm)	RecQ helicase	0.0024	0.0416	0.127
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0109	0.0008
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0016	0.0247	0.0247
Echinococcus multilocularis	dna polymerase eta	0.0016	0.0247	0.0183
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0016	0.0247	0.0183
Schistosoma mansoni	hypothetical protein	0.0044	0.0864	0.0864
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0045	0.0904	0.2492
Mycobacterium ulcerans	DNA polymerase IV	0.0045	0.0904	0.3552
Schistosoma mansoni	rab6-interacting	0.0044	0.0864	0.0864
Schistosoma mansoni	loxhd1	0.0044	0.0864	0.0864
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0092	0.1944	0.1891
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.005	0.00000000081418
Brugia malayi	CXXC zinc finger family protein	0.0032	0.0599	0.2021
Brugia malayi	Bloom's syndrome protein homolog	0.0024	0.0416	0.1273
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.005	0.00000000081418
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0.1153	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0016	0.0247	0.0578
Echinococcus granulosus	bloom syndrome protein	0.0024	0.0416	0.0353
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.0904	0.2492
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0026	0.0467	0.1835
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0026	0.0467	0.5
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0016	0.0246	0.0677
Echinococcus multilocularis	bloom syndrome protein	0.0024	0.0416	0.0353
Schistosoma mansoni	hypothetical protein	0.0452	1	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.041	0.113
Chlamydia trachomatis	dihydrofolate reductase	0.0048	0.0972	1
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0119	0.2545	0.2545
Schistosoma mansoni	dihydrofolate reductase	0.0048	0.0972	0.0972
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.005	0.00000000081418
Schistosoma mansoni	hypothetical protein	0.0057	0.1167	0.1167
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0016	0.0247	0.0574
Giardia lamblia	Sgs1 DNA helicase, putative	0.001	0.0107	0.2603
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0026	0.0467	0.1287
Trichomonas vaginalis	DNA helicase recq1, putative	0.0024	0.0416	0.3325
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0119	0.2545	1

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	= 63 uM	Concentration of the compound required to inhibit cell proliferation in HEL cells by 50%	ChEMBL.	16000005
CC50 (functional)	= 63 uM	Concentration of the compound required to inhibit cell proliferation in HEL cells by 50%	ChEMBL.	16000005
EC50 (functional)	= 0.47 uM	Concentration of the compound required to inhibit human cytomegalovirus strain AD169 induced cytopathogenicity in HEL cells by 50%	ChEMBL.	16000005
EC50 (functional)	= 0.47 uM	Concentration of the compound required to inhibit human cytomegalovirus strain AD169 induced cytopathogenicity in HEL cells by 50%	ChEMBL.	16000005
EC50 (functional)	= 0.79 uM	Concentration of the compound required to inhibit human cytomegalovirus strain Davis induced cytopathogenicity in HEL cells by 50%	ChEMBL.	16000005
EC50 (functional)	= 0.79 uM	Concentration of the compound required to inhibit human cytomegalovirus strain Davis induced cytopathogenicity in HEL cells by 50%	ChEMBL.	16000005
EC50 (functional)	> 50 uM	Concentration of the compound required to inhibit human immunodeficiency virus-1 (strain IIIb) induced cytopathogenicity in CEM cells by 50%	ChEMBL.	16000005
EC50 (functional)	> 50 uM	Concentration of the compound required to inhibit human immunodeficiency virus-1 (strain ROD) induced cytopathogenicity in CEM cells by 50%	ChEMBL.	16000005
EC50 (functional)	> 50 uM	Concentration of the compound required to inhibit human immunodeficiency virus-1 (strain IIIb) induced cytopathogenicity in CEM cells by 50%	ChEMBL.	16000005
EC50 (functional)	> 50 uM	Concentration of the compound required to inhibit human immunodeficiency virus-1 (strain ROD) induced cytopathogenicity in CEM cells by 50%	ChEMBL.	16000005
MCC (functional)	> 400 uM	Concentration of the compound required to cause a microscopically visible alteration of cell morphology in HEL cells	ChEMBL.	16000005
MCC (functional)	> 400 uM	Concentration of the compound required to cause a microscopically visible alteration of cell morphology in HEL cells	ChEMBL.	16000005

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	16000005

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

PubChem: 448879

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 331256