TDR Targets

Basic information

Technical information

TDR Targets ID: 1427441
Name: 2-[(4-chlorophenyl)methyl]-4-prop-2-ynylsulfa nylquinazoline
MW: 324.827 | Formula: C18H13ClN2S
H donors: 0 H acceptors: 2 LogP: 5.08 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: C#CCSc1nc(Cc2ccc(cc2)Cl)nc2c1cccc2
InChi: 1S/C18H13ClN2S/c1-2-11-22-18-15-5-3-4-6-16(15)20-17(21-18)12-13-7-9-14(19)10-8-13/h1,3-10H,11-12H2
InChiKey: ILAXHDXLMGKCCK-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-[(4-chlorophenyl)methyl]-4-prop-2-ynylsulfanyl-quinazoline
2-[(4-chlorophenyl)methyl]-4-(prop-2-ynylthio)quinazoline
2-(4-chlorobenzyl)-4-(propargylthio)quinazoline
ZINC03063732
11F-389S
2-(4-chlorobenzyl)-4-(2-propynylsulfanyl)quinazoline
MLS000543417
SMR000169386

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 1, subfamily A, polypeptide 2	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 9	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Cytochrome P450 family protein	cytochrome P450, family 1, subfamily A, polypeptide 2	516 aa	470 aa	26.2 %
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	chromobox protein, putative	0.0077	0.3445	0.4405
Loa Loa (eye worm)	RNA binding protein	0.0067	0.2884	0.395
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.1692	0.9031
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.231	0.3062
Entamoeba histolytica	hypothetical protein	0.0036	0.1292	0.8098
Schistosoma mansoni	chromobox protein	0.0077	0.3445	0.3374
Mycobacterium ulcerans	L-lysine aminotransferase	0.0023	0.0625	0.0393
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.1862	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.2075	0.1988
Mycobacterium tuberculosis	Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase)	0.0023	0.0625	0.0393
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0023	0.0625	0.0718
Echinococcus multilocularis	chromobox protein 1	0.0077	0.3445	0.3374
Trypanosoma cruzi	cytochrome P450, putative	0.0028	0.0881	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.0881	0.1207
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.1407	0.1806
Plasmodium vivax	ornithine aminotransferase, putative	0.0023	0.0625	0.3124
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0813	0.4821
Brugia malayi	RNA binding protein	0.0067	0.2884	0.3859
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0028	0.0881	0.0742
Echinococcus multilocularis	ornithine aminotransferase	0.0023	0.0625	0.0522
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0108	0.0148
Loa Loa (eye worm)	hypothetical protein	0.002	0.0469	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0108	0.0148
Echinococcus granulosus	chromobox protein 1	0.0077	0.3445	0.3374
Echinococcus multilocularis		0.0017	0.0336	0.023
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0813	0.8749
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1208	0.1655
Trypanosoma cruzi	cytochrome P450, putative	0.0028	0.0881	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0813	0.0649
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0813	0.0649
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0023	0.0625	0.0522
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0813	0.8749
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0023	0.0625	0.3124
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0358	0.0348
Loa Loa (eye worm)	hypothetical protein	0.002	0.0469	0.0643
Mycobacterium leprae	Probable Acetylornithine aminotransferase ArgD	0.0023	0.0625	0.0393
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0108	0.0148
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0813	0.098
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0813	0.0649
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0152	0.7301	0.7271
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0358	0.0253
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0045	0.1762	0.2183
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.0881	0.1207
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.2884	0.395
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.1039	0.1228
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.0532	0.0267
Echinococcus multilocularis	ornithine aminotransferase	0.0023	0.0625	0.0522
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0813	0.0649
Brugia malayi	Cytochrome P450 family protein	0.0017	0.0336	0.0317
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0358	0.0253
Mycobacterium leprae	PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT)	0.0023	0.0625	0.0393
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0813	0.0649
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.2075	0.1988
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0532	0.0429
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0023	0.0625	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0813	0.0649
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0414	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0055	0.231	0.3164
Brugia malayi	chromobox protein homolog 3	0.0043	0.1692	0.2202
Schistosoma mansoni	hypothetical protein	0.0036	0.1292	0.1197
Plasmodium falciparum	ornithine aminotransferase	0.0023	0.0625	0.3535
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0414	0.0107
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.231	0.3062
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0358	0.0348
Echinococcus granulosus	chromobox protein 1	0.0077	0.3445	0.3374
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0813	0.4821
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0358	0.0253
Loa Loa (eye worm)	acetyltransferase	0.0152	0.7301	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.1292	0.1197
Echinococcus granulosus	Aminotransferase class III	0.0023	0.0625	0.0522
Trypanosoma brucei	cytochrome P450, putative	0.0028	0.0881	1
Schistosoma mansoni	hypothetical protein	0.0018	0.0358	0.0253
Loa Loa (eye worm)	heterochromatin protein 1	0.0077	0.3445	0.4719
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.1862	0.2315
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0532	0.5
Mycobacterium ulcerans	hypothetical protein	0.016	0.7684	1
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0023	0.0625	0.0393
Schistosoma mansoni	hypothetical protein	0.0017	0.0336	0.023
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2884	0.2806
Schistosoma mansoni	chromobox protein	0.0077	0.3445	0.3374
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1692	0.2317
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0023	0.0625	0.0393
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	0.0023	0.0625	0.0393
Toxoplasma gondii	exonuclease III APE	0.0021	0.0532	0.2564
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.2884	0.3859
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0045	0.1762	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0358	0.0491
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0358	0.0253
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0021	0.0532	0.0267
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0469	0.0182
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0045	0.1762	1
Giardia lamblia	Histone acetyltransferase GCN5	0.0041	0.157	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0813	0.0649
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0414	0.0107
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0045	0.1762	0.1672
Brugia malayi	Heterochromatin protein 1	0.0077	0.3445	0.464
Onchocerca volvulus		0.0034	0.1208	0.6276
Loa Loa (eye worm)	CHromoDomain protein family member	0.0013	0.0108	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0108	0.0148
Mycobacterium ulcerans	glutamate-1-semialdehyde aminotransferase	0.0023	0.0625	0.0393
Mycobacterium ulcerans	ornithine aminotransferase RocD1 and RocD2	0.0023	0.0625	0.0393
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.0532	0.36
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.2075	0.1988
Loa Loa (eye worm)	hypothetical protein	0.002	0.0469	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0108	0.0148
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0532	0.059
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0813	0.0649
Mycobacterium leprae	Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM	0.0023	0.0625	0.0393
Brugia malayi	cytochrome P450	0.0017	0.0336	0.0317
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.2075	0.2734
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.016	0.7684	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2884	0.2806
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.1692	0.2091
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0358	0.0491
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.2075	0.1988
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0108	0.0148
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0532	0.0429
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0813	0.0649
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.2075	0.1988
Schistosoma mansoni	cytochrome P450	0.0017	0.0336	0.023
Brugia malayi	hypothetical protein	0.0036	0.1292	0.1646
Schistosoma mansoni	hypothetical protein	0.0205	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1407	0.1927
Schistosoma mansoni	hypothetical protein	0.0038	0.1407	0.1313
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0813	0.0649
Brugia malayi	TAR-binding protein	0.0067	0.2884	0.3859
Leishmania major	cytochrome p450-like protein	0.0028	0.0881	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2884	0.2806
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.2075	0.1988
Entamoeba histolytica	hypothetical protein	0.0036	0.1292	0.8098
Echinococcus granulosus	cytochrome P450 2K1	0.0017	0.0336	0.023
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0813	0.098
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.2884	0.395
Mycobacterium ulcerans	acetylornithine aminotransferase	0.0023	0.0625	0.0393
Mycobacterium tuberculosis	Probable acetylornithine aminotransferase ArgD	0.0023	0.0625	0.0393
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0532	0.36
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0532	0.2564
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0532	0.0729
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.1292	0.1197
Schistosoma mansoni	hypothetical protein	0.0018	0.0358	0.0253
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0813	0.0649
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0152	0.7301	0.7271
Onchocerca volvulus		0.0026	0.0813	0.4019
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0045	0.1762	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.2075	0.2842
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0358	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0108	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0813	0.1113
Loa Loa (eye worm)	hypothetical protein	0.002	0.0469	0.0643
Trichomonas vaginalis	chromobox protein, putative	0.0077	0.3445	0.4405
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0532	0.36
Echinococcus granulosus	tar DNA binding protein	0.0067	0.2884	0.2806
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.016	0.7684	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0063	0.2711	0.3713
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.2884	0.2806
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.2075	0.1988
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0813	0.098
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.002	0.0469	0.0182
Entamoeba histolytica	hypothetical protein	0.0036	0.1292	0.8098
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0017	0.0336	0.1377
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2884	0.2806
Brugia malayi	acetyltransferase, GNAT family protein	0.0152	0.7301	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0045	0.1762	0.2183
Echinococcus multilocularis	chromobox protein 1	0.0077	0.3445	0.3374
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0532	0.056
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0414	0.0107
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.1039	0.1228
Echinococcus granulosus	ornithine aminotransferase	0.0023	0.0625	0.0522
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.016	0.7684	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0469	0.0643
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2884	0.2806
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0021	0.0532	0.2901
Loa Loa (eye worm)	helicase	0.0013	0.0108	0.0148
Schistosoma mansoni	hypothetical protein	0.0018	0.0358	0.0253
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0813	0.4821
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0532	0.36
Plasmodium vivax	acyl-CoA synthetase, putative	0.002	0.0469	0.2186
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0813	0.1113
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0532	0.2901
Plasmodium falciparum	acyl-CoA synthetase	0.002	0.0469	0.2473
Loa Loa (eye worm)	cytochrome P450	0.0017	0.0336	0.046
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.1292	0.1197
Schistosoma mansoni	hypothetical protein	0.0018	0.0358	0.0253
Echinococcus multilocularis	Aminotransferase class III	0.0023	0.0625	0.0522
Entamoeba histolytica	hypothetical protein	0.0036	0.1292	0.8098
Brugia malayi	Cytochrome P450 family protein	0.0063	0.2711	0.3618
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.231	0.3164
Schistosoma mansoni	hypothetical protein	0.0205	1	1
Plasmodium falciparum	histone acetyltransferase GCN5	0.0041	0.157	1
Loa Loa (eye worm)	CYP4Cod1	0.0028	0.0881	0.1207
Brugia malayi	Cytochrome P450 family protein	0.0028	0.0881	0.1075
Echinococcus multilocularis	geminin	0.0205	1	1
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0532	0.056
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.1862	0.2315
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0023	0.0625	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0813	0.8749
Mycobacterium tuberculosis	Probable aminotransferase	0.016	0.7684	1
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.1692	0.2091
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.016	0.7684	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0813	0.1113
Schistosoma mansoni	ap endonuclease	0.0021	0.0532	0.0429
Schistosoma mansoni	ap endonuclease	0.0021	0.0532	0.0429
Entamoeba histolytica	acetyltransferase, GNAT family	0.0041	0.157	1
Brugia malayi	Cytochrome P450 family protein	0.0028	0.0881	0.1075
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0813	0.0649
Mycobacterium tuberculosis	Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at)	0.0023	0.0625	0.0393
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0148	0.7081	0.7049
Echinococcus granulosus	GPCR family 2	0.0018	0.0358	0.0253

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 0.501187234 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 1.258925412 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 2.818382931 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 15.84893192 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
Potency (functional)	8.1995 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 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
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	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: CHEMBL1558201

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1427441