TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 606.754 | Formula: C37H42N4O4
H donors: 0 H acceptors: 4 LogP: 6.96 Rotable bonds: 15
Rule of 5 violations (Lipinski): 2
SMILES: CCCCN(C(=O)c1nn(c(c1)C)c1ccc(cc1C(=O)N1CCc2c(C1)cccc2)OCC(=O)c1ccccc1)CCCC
InChi: 1S/C37H42N4O4/c1-4-6-20-39(21-7-5-2)37(44)33-23-27(3)41(38-33)34-18-17-31(45-26-35(42)29-14-9-8-10-15-29)24-32(34)36(43)40-22-19-28-13-11-12-16-30(28)25-40/h8-18,23-24H,4-7,19-22,25-26H2,1-3H3
InChiKey: XIOUWKRWZBNVPX-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	B-cell CLL/lymphoma 2	Starlite/ChEMBL	References
Homo sapiens	BCL2-associated agonist of cell death	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	Get druggable targets OG5_139665	All targets in OG5_139665
Echinococcus granulosus	EGFP:Bcl2 fusion protein	Get druggable targets OG5_139665	All targets in OG5_139665

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
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0028	0.0108	0.0339
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0028	0.0108	0.0339
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0028	0.0108	0.0339
Trichomonas vaginalis	chaperonin, putative	0.0026	0.009	0.2893
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0169	0.0169
Mycobacterium ulcerans	2-oxoglutarate ferredoxin oxidoreductase subunit beta	0.0047	0.0312	0.0977
Brugia malayi	Thiamine pyrophosphate enzyme, central domain containing protein	0.0326	0.3191	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0169	0.0624
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0047	0.0312	1
Leishmania major	cytochrome p450-like protein	0.0038	0.0213	0.1215
Trypanosoma cruzi	cytochrome P450, putative	0.0038	0.0213	0.2334
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0028	0.0108	0.0339
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0169	0.0443
Schistosoma mansoni	hypothetical protein	0.0034	0.0169	0.0624
Trypanosoma brucei	phosphonopyruvate decarboxylase-like protein, putative	0.0105	0.0911	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0	0.5
Echinococcus granulosus	chaperonin containing TCP1 subunit 2 beta	0.0026	0.009	0.009
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0028	0.0108	0.0339
Treponema pallidum	pyruvate oxidoreductase	0.0047	0.0312	1
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0047	0.0312	1
Brugia malayi	T-complex protein 1, beta subunit	0.0026	0.009	0.0283
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0512	0.2379
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0329	0.0329
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0028	0.0108	0.0339
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0114	0.0997	0.3123
Loa Loa (eye worm)	apoptosis regulator protein	0.0067	0.0512	0.2379
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0028	0.0108	0.0339
Trypanosoma cruzi	phosphonopyruvate decarboxylase, putative	0.0105	0.0911	1
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0194	0.1825	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0028	0.0108	0.0339
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0028	0.0108	0.0339
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0067	0.0512	0.1894
Loa Loa (eye worm)	ILVBL protein	0.0197	0.1862	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0114	0.0997	0.3123
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0106	0.0919	0.2879
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.005	0.0337	0.1055
Brugia malayi	N-terminal motif family protein	0.0194	0.1825	0.572
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0028	0.0108	0.0339
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0329	0.0329
Loa Loa (eye worm)	cytochrome P450 family protein	0.0038	0.0213	0.0691
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0047	0.0312	1
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0047	0.0312	1
Plasmodium falciparum	glutathione reductase	0.005	0.0337	0.1924
Plasmodium falciparum	acyl-CoA synthetase	0.0186	0.175	1
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0047	0.0312	1
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0028	0.0108	0.0339
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0028	0.0108	0.0339
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0047	0.0312	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0126	0.1128	0.3307
Brugia malayi	cytochrome P450	0.0028	0.0108	0.0339
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0067	0.0512	0.0512
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0028	0.0108	0.0339
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.0169	0.0169
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0067	0.0512	0.0512
Leishmania major	cytochrome p450-like protein	0.0028	0.0108	0.0618
Plasmodium vivax	thioredoxin reductase, putative	0.005	0.0337	0.1924
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0028	0.0108	0.0339
Schistosoma mansoni	hypothetical protein	0.0034	0.0169	0.0624
Mycobacterium ulcerans	2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase	0.0058	0.042	0.1318
Loa Loa (eye worm)	hypothetical protein	0.0194	0.1825	0.9794
Trypanosoma brucei	T-complex protein 1, beta subunit, putative	0.0026	0.009	0.099
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0114	0.0997	0.3123
Giardia lamblia	TCP-1 chaperonin subunit beta	0.0026	0.009	0.2893
Schistosoma mansoni	apoptosis regulator bax	0.0067	0.0512	0.1894
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0028	0.0108	0.1187
Mycobacterium ulcerans	acetolactate synthase large subunit IlvB	0.0186	0.175	0.5483
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0028	0.0108	0.1187
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0028	0.0108	0.0339
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0028	0.0108	0.0339
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0028	0.0108	0.0339
Leishmania major	cytochrome p450-like protein	0.0028	0.0108	0.0618
Trypanosoma brucei	phosphonopyruvate decarboxylase-like protein, putative	0.0105	0.0911	1
Leishmania major	putative pyruvate/indole-pyruvate carboxylase, putative	0.0186	0.175	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0329	0.0329
Plasmodium falciparum	thioredoxin reductase	0.005	0.0337	0.1924
Loa Loa (eye worm)	cytochrome P450 family protein	0.0113	0.0987	0.506
Toxoplasma gondii	thioredoxin reductase	0.005	0.0337	1
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0026	0.009	0.0334
Plasmodium vivax	acyl-CoA synthetase, putative	0.0186	0.175	1
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0028	0.0108	0.0339
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0028	0.0108	0.0339
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0106	0.0919	0.2879
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0028	0.0108	0.0339
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0169	0.0169
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0028	0.0108	0.0339
Echinococcus granulosus	GPCR family 2	0.0034	0.0169	0.0169
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0028	0.0108	0.0339
Schistosoma mansoni	acetolactate synthase	0.0278	0.2701	1
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0067	0.0512	0.1603
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0028	0.0108	0.0339
Mycobacterium tuberculosis	Probable oxalyl-CoA decarboxylase OxcA	0.0326	0.3191	1
Toxoplasma gondii	t-complex protein beta subunit	0.0026	0.009	0.2678
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0038	0.0213	0.0666
Brugia malayi	glutathione reductase	0.005	0.0337	0.1055
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0028	0.0108	0.0339
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0329	0.1032
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0026	0.009	0.0334
Mycobacterium tuberculosis	Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS)	0.0326	0.3191	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0169	0.0169
Mycobacterium leprae	PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE)	0.0326	0.3191	1
Plasmodium vivax	T-complex protein 1 subunit beta, putative	0.0026	0.009	0.0515
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.0572	0.1791
Schistosoma mansoni	hypothetical protein	0.0067	0.0512	0.1894
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0028	0.0108	0.0339
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0028	0.0108	0.0339
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.0169	0.0169
Giardia lamblia	Pyruvate-flavodoxin oxidoreductase	0.0047	0.0312	1
Mycobacterium ulcerans	pyruvate or indole-3-pyruvate decarboxylase Pdc	0.0186	0.175	0.5483
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0026	0.009	0.0334
Loa Loa (eye worm)	cytochrome P450	0.0028	0.0108	0.0101
Trypanosoma cruzi	trypanothione reductase, putative	0.005	0.0337	0.3697
Schistosoma mansoni	hypothetical protein	0.0034	0.0169	0.0624
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0028	0.0108	0.0339
Mycobacterium ulcerans	hypothetical protein	0.0326	0.3191	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0126	0.1128	0.3534
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0028	0.0108	0.321
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0028	0.0108	0.0339
Brugia malayi	Cytochrome P450 family protein	0.0038	0.0213	0.0666
Loa Loa (eye worm)	thiamine pyrophosphate enzyme	0.0187	0.1753	0.9386
Schistosoma mansoni	hypothetical protein	0.0067	0.0512	0.1894
Brugia malayi	T-complex protein 1, beta subunit	0.0026	0.009	0.0283
Echinococcus multilocularis		0.0028	0.0108	0.0108
Leishmania major	phosphonopyruvate decarboxylase-like protein	0.0105	0.0911	0.5204
Mycobacterium tuberculosis	Probable dehydrogenase	0.0114	0.0997	0.3123
Echinococcus multilocularis	neuropeptide s receptor	0.0983	1	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.005	0.0337	0.0337
Echinococcus granulosus	thioredoxin glutathione reductase	0.005	0.0337	0.0337
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0169	0.0529
Schistosoma mansoni	hypothetical protein	0.0072	0.0572	0.2116
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0329	0.1219
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0017	0	0.5
Entamoeba histolytica	pyruvate:ferredoxin oxidoreductase	0.0047	0.0312	1
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0028	0.0108	0.0339
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0028	0.0108	0.0339
Leishmania major	T-complex protein 1, beta subunit, putative	0.0026	0.009	0.0515
Mycobacterium ulcerans	hypothetical protein	0.0105	0.0911	0.2854
Mycobacterium ulcerans	putative oxalyl-CoA decarboxylase	0.0326	0.3191	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0329	0.0329
Brugia malayi	Thioredoxin reductase	0.005	0.0337	0.1055
Echinococcus multilocularis	chaperonin containing TCP1, subunit 2 (beta)	0.0026	0.009	0.009
Trypanosoma cruzi	phosphonopyruvate decarboxylase, putative	0.0105	0.0911	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0126	0.1128	0.3534
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0169	0.0529
Mycobacterium tuberculosis	Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase)	0.0139	0.1263	0.3957
Leishmania major	trypanothione reductase	0.005	0.0337	0.1924
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0028	0.0108	0.0339
Plasmodium falciparum	T-complex protein 1 subunit beta	0.0026	0.009	0.0515
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0919	0.4677
Mycobacterium tuberculosis	Probable reductase	0.0114	0.0997	0.3123
Plasmodium vivax	glutathione reductase, putative	0.005	0.0337	0.1924
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0329	0.1219
Mycobacterium tuberculosis	Probable oxidoreductase (beta subunit)	0.0047	0.0312	0.0977
Echinococcus granulosus	neuropeptide receptor A26	0.0983	1	1
Loa Loa (eye worm)	glutathione reductase	0.005	0.0337	0.1391
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0028	0.0108	0.0618
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0028	0.0108	0.0339
Trypanosoma cruzi	cytochrome P450, putative	0.0038	0.0213	0.2334
Loa Loa (eye worm)	cytochrome P450 family protein	0.0038	0.0213	0.0691
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0028	0.0108	0.0339
Trichomonas vaginalis	chaperonin-60kD, ch60, putative	0.0026	0.009	0.2893
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0028	0.0108	0.1187
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0028	0.0108	0.0339
Trypanosoma brucei	cytochrome P450, putative	0.0038	0.0213	0.2334
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0028	0.0108	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0169	0.0443
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0028	0.0108	0.0339
Trypanosoma cruzi	T-complex protein 1, beta subunit, putative	0.0026	0.009	0.099
Schistosoma mansoni	acetolactate synthase	0.0278	0.2701	1
Loa Loa (eye worm)	thioredoxin reductase	0.005	0.0337	0.1391
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0028	0.0108	0.0339
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0329	0.1219
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0028	0.0108	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0572	0.2717
Loa Loa (eye worm)	CYP4Cod1	0.0038	0.0213	0.0691
Echinococcus multilocularis	neuropeptide receptor A26	0.0983	1	1
Echinococcus granulosus	cytochrome P450 2K1	0.0028	0.0108	0.0108
Mycobacterium leprae	PROBABLE BIFUNCTIONAL MENAQUINONE BIOSYNTHESIS PROTEIN MEND : 2-SUCCINYL-6-HYDROXY-2,4-CYCLOHEXADIENE-1-CARBOXYLATE SYNTHASE (SH	0.0058	0.042	0.1013
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0835	0.8465	0.8465
Mycobacterium ulcerans	acetolactate synthase 1 catalytic subunit	0.0326	0.3191	1
Brugia malayi	Cytochrome P450 family protein	0.0028	0.0108	0.0339
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0114	0.0997	0.3123
Brugia malayi	Cytochrome P450 family protein	0.0113	0.0987	0.3092
Brugia malayi	Cytochrome P450 family protein	0.0038	0.0213	0.0666
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0106	0.0919	0.4677
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0114	0.0997	0.2882
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0028	0.0108	0.0339
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0835	0.8465	0.8465
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0028	0.0108	0.0339
Schistosoma mansoni	cytochrome P450	0.0028	0.0108	0.04
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0126	0.1128	0.3534
Trypanosoma brucei	trypanothione reductase	0.005	0.0337	0.3697
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0	0.5
Mycobacterium leprae	Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS)	0.0326	0.3191	1
Schistosoma mansoni	hypothetical protein	0.0067	0.0512	0.1894
Mycobacterium ulcerans	acetolactate synthase	0.0186	0.175	0.5483
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0028	0.0108	0.0339
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0329	0.1349
Schistosoma mansoni	hypothetical protein	0.0028	0.0108	0.04

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.02 uM	Inhibition of GST fused Bcl-2 binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay	ChEMBL.	19027294
IC50 (binding)	= 0.33 uM	Inhibition of GST fused Bcl-2 binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay	ChEMBL.	19027294
IC50 (binding)	= 3.24 uM	Inhibition of GST fused Bcl-xL binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay	ChEMBL.	19027294

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: CHEMBL509208

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 1003121