TDR Targets

Basic information

Technical information

TDR Targets ID: 845993
Name: 9-methyl-2-phenyl-1,5-dihydrochromeno[3,2-e]p yrimidine-4-thione
MW: 306.382 | Formula: C18H14N2OS
H donors: 0 H acceptors: 2 LogP: 4.57 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Sc1nc(nc2c1Cc1cccc(c1O2)C)c1ccccc1
InChi: 1S/C18H14N2OS/c1-11-6-5-9-13-10-14-17(21-15(11)13)19-16(20-18(14)22)12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,19,20,22)
InChiKey: QHWZUPDURLZFQU-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

ZINC02705655

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)	isocitrate dehydrogenase	0.006	0.0047	0.0273
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.006	0.0047	0.0229
Echinococcus multilocularis	carbonic anhydrase	0.0724	0.0705	0.435
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0016	0.0003	0.0016
Echinococcus multilocularis	Smad4	0.0016	0.0003	0.0016
Onchocerca volvulus	Putative sulfate transporter	0.1629	0.1603	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0221	0.0206	0.1259
Brugia malayi	hypothetical protein	0.0037	0.0024	0.0134
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0016	0.0003	0.0006
Onchocerca volvulus		0.0294	0.0278	0.1528
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.026	0.0244	0.014
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.007	0.0056	0.0348
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0016	0.0003	0.002
Schistosoma mansoni	hypothetical protein	0.0509	0.0492	0.1018
Schistosoma mansoni	carbonic anhydrase-related	0.0724	0.0705	0.1459
Plasmodium falciparum	inorganic anion exchanger, inorganic anion antiporter	0.026	0.0244	0.3372
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1647	0.1621	1
Brugia malayi	Isocitrate dehydrogenase	0.006	0.0047	0.0278
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.006	0.0047	0.1574
Echinococcus granulosus	smad	0.0016	0.0003	0.0016
Loa Loa (eye worm)	hypothetical protein	0.1267	0.1244	0.767
Echinococcus multilocularis	smad	0.0016	0.0003	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0294	0.0278	0.1703
Echinococcus granulosus	carbonic anhydrase II	0.1647	0.1621	1
Echinococcus granulosus	geminin	0.0509	0.0492	0.3036
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0033	0.0206
Mycobacterium ulcerans	carbonic anhydrase	0.4887	0.4834	0.4779
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.006	0.0047	0.0097
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.007	0.0056	0.0348
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.2551	0.2517	0.3235
Loa Loa (eye worm)	glutaminase	0.0251	0.0236	0.1443
Loa Loa (eye worm)	hypothetical protein	0.0153	0.0139	0.0841
Echinococcus multilocularis	cpg binding protein	0.0056	0.0042	0.0261
Plasmodium vivax	sulfate transporter, putative	0.026	0.0244	1
Echinococcus granulosus	carbonic anhydrase	0.0724	0.0705	0.435
Schistosoma mansoni	glutaminase	0.0251	0.0236	0.0489
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.006	0.0047	0.0229
Loa Loa (eye worm)	histone methyltransferase	0.0016	0.0003	0.0003
Schistosoma mansoni	carbonic anhydrase-related	0.0724	0.0705	0.1459
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1647	0.1621	1
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0024	0.0049
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.006	0.0047	0.0229
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0016	0.0003	0.002
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.006	0.0047	0.0289
Toxoplasma gondii	isocitrate dehydrogenase	0.006	0.0047	0.0531
Echinococcus granulosus	GPCR family 2	0.007	0.0056	0.0348
Schistosoma mansoni	cpg binding protein	0.0053	0.0039	0.0081
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0112	0.0098	0.0203
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0724	0.0705	0.4344
Echinococcus multilocularis	geminin	0.0509	0.0492	0.3036
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.012	0.0106	0.02
Toxoplasma gondii	hypothetical protein	0.0724	0.0705	1
Schistosoma mansoni	hypothetical protein	0.0037	0.0024	0.0049
Echinococcus granulosus	muscleblind protein	0.0153	0.0139	0.0856
Schistosoma mansoni	cpg binding protein	0.0056	0.0042	0.0088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0033	0.0069
Schistosoma mansoni	Smad4	0.0016	0.0003	0.0006
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.012	0.0106	0.0656
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.007	0.0056	0.0348
Echinococcus multilocularis	carbonic anhydrase II	0.1647	0.1621	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.012	0.0106	0.0656
Toxoplasma gondii	isocitrate dehydrogenase	0.006	0.0047	0.0531
Schistosoma mansoni	hypothetical protein	0.007	0.0056	0.0117
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0033	0.0206
Schistosoma mansoni	hypothetical protein	0.007	0.0056	0.0117
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0003	0.0006
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1647	0.1621	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.0056	0.0332
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0221	0.0206	0.1264
Leishmania major	carbonic anhydrase-like protein	0.1647	0.1621	0.3339
Schistosoma mansoni	hypothetical protein	0.0151	0.0137	0.0283
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.012	0.0106	0.0078
Chlamydia trachomatis	sulfate transporter	0.026	0.0244	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0033	0.0069
Schistosoma mansoni	hypothetical protein	0.0752	0.0733	0.1517
Schistosoma mansoni	aldehyde dehydrogenase	0.012	0.0106	0.022
Loa Loa (eye worm)	hypothetical protein	0.0151	0.0137	0.083
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.006	0.0047	0.0289
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1647	0.1621	0.3353
Brugia malayi	isocitrate dehydrogenase	0.006	0.0047	0.0278
Echinococcus multilocularis	microtubule associated protein 2	0.0639	0.0621	0.3829
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0724	0.0705	0.4344
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.006	0.0047	0.0289
Brugia malayi	CXXC zinc finger family protein	0.0053	0.0039	0.0232
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.1647	0.1621	1
Schistosoma mansoni	hypothetical protein	0.0724	0.0705	0.1459
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	0.026	0.0244	0.3372
Brugia malayi	MH2 domain containing protein	0.0232	0.0217	0.1329
Schistosoma mansoni	carbonic anhydrase	0.0724	0.0705	0.1459
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.007	0.0056	0.0348
Brugia malayi	MH1 domain containing protein	0.0016	0.0003	0.0005
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.026	0.0244	0.1455
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0033	0.0195
Echinococcus multilocularis	muscleblind protein	0.0153	0.0139	0.0856
Brugia malayi	Latrophilin receptor protein 2	0.007	0.0056	0.0337
Loa Loa (eye worm)	carbonic anhydrase 3	0.1647	0.1621	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.006	0.0047	0.0076
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.7759	0.7683	1
Echinococcus granulosus	Smad4	0.0016	0.0003	0.0016
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0033	0.0206
Schistosoma mansoni	microtubule-associated protein tau	0.0639	0.0621	0.1284
Schistosoma mansoni	hypothetical protein	0.007	0.0056	0.0117
Leishmania major	carbonic anhydrase family protein, putative	0.4887	0.4834	1
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.026	0.0244	0.1455
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.4887	0.4834	1
Mycobacterium ulcerans	glutaminase	0.0251	0.0236	0.0131
Brugia malayi	MH1 domain containing protein	0.0016	0.0003	0.0005
Echinococcus granulosus	cpg binding protein	0.0056	0.0042	0.0261
Brugia malayi	glutaminase DH11.1	0.0251	0.0236	0.1447
Echinococcus multilocularis	carbonic anhydrase	0.0724	0.0705	0.435
Loa Loa (eye worm)	hypothetical protein	0.0724	0.0705	0.4341
Trichomonas vaginalis	conserved hypothetical protein	1.0096	1	1
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.026	0.0244	0.014
Loa Loa (eye worm)	hypothetical protein	0.0153	0.0139	0.0841
Brugia malayi	latrophilin 2 splice variant baaae	0.0151	0.0137	0.0835
Brugia malayi	F/Y-rich N-terminus family protein	0.0016	0.0003	0.0007
Loa Loa (eye worm)	latrophilin receptor protein 2	0.007	0.0056	0.0332
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0033	0.0069
Brugia malayi	Smad1	0.0016	0.0003	0.0005
Schistosoma mansoni	hypothetical protein	0.007	0.0056	0.0117
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0003	0.0006
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0033	0.019
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0053	0.0039	0.0227
Entamoeba histolytica	carbonic anhydrase, putative	0.4887	0.4834	1
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0003	0.0006
Echinococcus multilocularis	carbonic anhydrase	0.0724	0.0705	0.435
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0033	0.0206
Trypanosoma brucei	carbonic anhydrase-like protein	0.1647	0.1621	1
Schistosoma mansoni	hypothetical protein	0.0509	0.0492	0.1018
Echinococcus granulosus	carbonic anhydrase	0.0724	0.0705	0.435
Loa Loa (eye worm)	MH2 domain-containing protein	0.0232	0.0217	0.1325
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1647	0.1621	0.3353
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0016	0.0003	0.0016
Brugia malayi	MH2 domain containing protein	0.0016	0.0003	0.0005
Echinococcus multilocularis	muscleblind protein 1	0.0153	0.0139	0.0856
Schistosoma mansoni	smad	0.0016	0.0003	0.0006
Schistosoma mansoni	carbonic anhydrase-related	0.0724	0.0705	0.1459
Loa Loa (eye worm)	hypothetical protein	0.0724	0.0705	0.4341
Echinococcus granulosus	carbonic anhydrase	0.0724	0.0705	0.435
Toxoplasma gondii	histone lysine methyltransferase SET1	0.01	0.0086	0.1097
Echinococcus granulosus	mothers against decapentaplegic 5	0.0016	0.0003	0.0016
Echinococcus multilocularis	dnaJ subfamily B	0.0752	0.0733	0.4523
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.4218	0.4171	0.54
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.007	0.0056	0.0337
Brugia malayi	MH2 domain containing protein	0.0016	0.0003	0.0005
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.1647	0.1621	1
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.1882	0.1853	0.2366
Echinococcus multilocularis	GPCR, family 2	0.007	0.0056	0.0348
Brugia malayi	hypothetical protein	0.0294	0.0278	0.1707
Echinococcus granulosus	microtubule associated protein 2	0.0639	0.0621	0.3829
Toxoplasma gondii	aldehyde dehydrogenase	0.012	0.0106	0.1386
Onchocerca volvulus		0.1629	0.1603	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.006	0.0047	0.0289
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0024	0.0145
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.006	0.0047	0.0289
Brugia malayi	hypothetical protein	0.0023	0.001	0.005
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0221	0.0206	0.1264
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0016	0.0003	0.0016
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.006	0.0047	0.0531
Brugia malayi	Muscleblind-like protein	0.0153	0.0139	0.0846
Echinococcus granulosus	dnaJ subfamily B	0.0752	0.0733	0.4523
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0724	0.0705	0.4344
Loa Loa (eye worm)	transcription factor SMAD2	0.0232	0.0217	0.1325
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.006	0.0047	0.0229
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0861	0.0841	0.5189
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0724	0.0705	0.4341
Trypanosoma brucei	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.026	0.0244	0.1455
Plasmodium falciparum	carbonic anhydrase	0.0724	0.0705	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.0045
Echinococcus multilocularis	isocitrate dehydrogenase	0.006	0.0047	0.0289
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0724	0.0705	0.4344
Loa Loa (eye worm)	hypothetical protein	0.0221	0.0206	0.1259
Trichomonas vaginalis	conserved hypothetical protein	1.0096	1	1
Loa Loa (eye worm)	glutaminase 2	0.0251	0.0236	0.1443
Mycobacterium ulcerans	integral membrane transporter	0.026	0.0244	0.014
Schistosoma mansoni	cpg binding protein	0.0056	0.0042	0.0088
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0024	0.0145
Schistosoma mansoni	aldehyde dehydrogenase	0.012	0.0106	0.022
Schistosoma mansoni	carbonic anhydrase	0.4887	0.4834	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0724	0.0705	0.4344

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 845993