TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 550.623 | Formula: C33H31FN4O3
H donors: 0 H acceptors: 3 LogP: 4.88 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: COc1cccc(c1)N1C(=O)N(C2(C1=O)CCN(CC2)Cc1ccc(cc1)c1ccncc1)Cc1ccccc1F
InChi: 1S/C33H31FN4O3/c1-41-29-7-4-6-28(21-29)38-31(39)33(37(32(38)40)23-27-5-2-3-8-30(27)34)15-19-36(20-16-33)22-24-9-11-25(12-10-24)26-13-17-35-18-14-26/h2-14,17-18,21H,15-16,19-20,22-23H2,1H3
InChiKey: FLYSTSPNPXBSFJ-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	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References
Homo sapiens	melanin-concentrating hormone receptor 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical 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	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
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
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_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
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_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 braziliensis	cytochrome p450-like protein	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
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	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
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	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
Leishmania donovani	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.0011	0.0434	0.0434
Brugia malayi	Proteasome subunit alpha type 1	0.0011	0.0434	0.0434
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0387	0.0387
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0041	0.0041
Leishmania major	proteasome beta 5 subunit, putative	0.014	1	1
Brugia malayi	proteasome subunit beta type 1	0.0011	0.0434	0.0434
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.075	0.075
Brugia malayi	nuclear receptor NHR-88	0.001	0.0387	0.0387
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0387	0.2311
Schistosoma mansoni	proteasome subunit beta 1 (T01 family)	0.0011	0.0434	0.0434
Entamoeba histolytica	CPSF A subunit region protein, putative	0.0027	0.1676	0.1298
Loa Loa (eye worm)	proteasome subunit beta type 1	0.0011	0.0434	0.0434
Brugia malayi	proteasome subunit alpha type 6	0.0011	0.0434	0.0434
Brugia malayi	proteasome subunit alpha type 1	0.0011	0.0434	0.0434
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0387	0.0387
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0387	0.0387
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1676	0.1676
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0011	0.0434	0.0434
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0387	0.0387
Echinococcus granulosus	subfamily T1A non peptidase ue	0.0011	0.0434	0.0434
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0011	0.0434	0.0434
Schistosoma mansoni	proteasome subunit alpha 2 (T01 family)	0.0011	0.0434	0.0434
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.075	0.033
Plasmodium vivax	proteasome subunit beta type-5, putative	0.014	1	1
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0011	0.0434	0.0434
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0387	0.0387
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.0011	0.0434	0.0434
Brugia malayi	Nuclear hormone receptor-like 1	0.0005	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0041	0.0041
Echinococcus granulosus	proteasome prosome macropain subunit alpha	0.0011	0.0434	0.0434
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0387	0.0387
Brugia malayi	proteasome subunit alpha type 2	0.0011	0.0434	0.0434
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0015	0.075	0.033
Schistosoma mansoni	proteasome catalytic subunit 1 (T01 family)	0.0011	0.0434	0.0434
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0387	0.0387
Loa Loa (eye worm)	hypothetical protein	0.001	0.0387	0.0387
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0011	0.0434	0.0434
Brugia malayi	Proteasome A-type and B-type family protein	0.0011	0.0434	0.0434
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.014	1	1
Onchocerca volvulus		0.001	0.0387	0.2311
Brugia malayi	proteasome subunit beta type 3	0.0011	0.0434	0.0434
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0005	0.0041	0.0041
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0387	0.0387
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0387	0.0387
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0387	0.0387
Brugia malayi	steroid hormone receptor	0.001	0.0387	0.0387
Wolbachia endosymbiont of Brugia malayi	ATP-dependent protease peptidase subunit	0.0011	0.0434	0.5
Schistosoma mansoni	proteasome subunit alpha 3 (T01 family)	0.0011	0.0434	0.0434
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0011	0.0434	0.0434
Loa Loa (eye worm)	hypothetical protein	0.001	0.0387	0.0387
Echinococcus granulosus	proteasome prosome macropain	0.014	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0387	0.0387
Loa Loa (eye worm)	proteasome subunit beta type 2	0.0011	0.0434	0.0434
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.014	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0387	0.0387
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.014	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0387	0.0387
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0387	0.0387
Brugia malayi	Proteasome A-type and B-type family protein	0.0011	0.0434	0.0434
Loa Loa (eye worm)	20S proteasome alpha5 subunit	0.0011	0.0434	0.0434
Echinococcus granulosus	proteasome subunit beta type 7	0.0011	0.0434	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0041	0.0041
Schistosoma mansoni	proteasome catalytic subunit 2 (T01 family)	0.0011	0.0434	0.0434
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0387	0.2311
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0387	0.0387
Onchocerca volvulus		0.0027	0.1676	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0005	0.0041	0.0041
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0011	0.0434	0.0434
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0011	0.0434	0.0434
Loa Loa (eye worm)	proteasome subunit alpha type 7-1	0.0011	0.0434	0.0434
Schistosoma mansoni	coup transcription factor	0.001	0.0387	0.0387
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0387	0.2311
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0387	0.0387
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0387	0.0387
Echinococcus granulosus	proteasome subunit beta type 6	0.0011	0.0434	0.0434
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0387	0.0387
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0387	0.0387
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0387	0.0387
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0387	0.0387
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0011	0.0434	0.0434
Plasmodium vivax	splicing factor 3B subunit 3, putative	0.0027	0.1676	0.1298
Echinococcus multilocularis	proteasome subunit beta type 7	0.0011	0.0434	0.0434
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0387	0.0387
Echinococcus multilocularis	20S proteasome subunit alpha 6	0.0011	0.0434	0.0434
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0387	0.0387
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0387	0.0387
Echinococcus multilocularis	proteasome (prosome macropain) subunit alpha	0.0011	0.0434	0.0434
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0387	0.0387
Plasmodium falciparum	splicing factor 3B subunit 3, putative	0.0027	0.1676	0.1298
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0387	0.0387
Echinococcus multilocularis	proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta	0.0011	0.0434	0.0434
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0387	0.0387
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0041	0.0041
Brugia malayi	Cytochrome P450 family protein	0.0015	0.075	0.075
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0005	0.0041	0.0041
Echinococcus granulosus	splicing factor 3b subunit 3	0.0027	0.1676	0.1676
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0387	0.0387
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0387	0.0387
Echinococcus multilocularis	proteasome subunit beta type 6	0.0011	0.0434	0.0434
Loa Loa (eye worm)	CYP4Cod1	0.0015	0.075	0.075
Echinococcus granulosus	proteasome subunit alpha type 2	0.0011	0.0434	0.0434
Brugia malayi	hypothetical protein	0.0005	0.0041	0.0041
Loa Loa (eye worm)	PAS-3 protein	0.0011	0.0434	0.0434
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0011	0.0434	0.0434
Echinococcus multilocularis	splicing factor 3b subunit 3	0.0027	0.1676	0.1676
Loa Loa (eye worm)	hypothetical protein	0.001	0.0387	0.0387
Loa Loa (eye worm)	proteasome subunit beta type 3	0.0011	0.0434	0.0434
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0005	0.0041	0.0041
Echinococcus granulosus	proteasome subunit beta t family	0.0011	0.0434	0.0434
Loa Loa (eye worm)	hypothetical protein	0.001	0.0387	0.0387
Loa Loa (eye worm)	proteasome subunit alpha type 2	0.0011	0.0434	0.0434
Loa Loa (eye worm)	proteasome subunit alpha type 6	0.0011	0.0434	0.0434
Plasmodium falciparum	proteasome subunit beta type-5	0.014	1	1
Leishmania major	cytochrome p450-like protein	0.0015	0.075	0.033
Echinococcus granulosus	proteasome prosome macropain subunit beta type	0.0011	0.0434	0.0434
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0387	0.0387
Echinococcus multilocularis	proteasome subunit alpha type 6	0.0011	0.0434	0.0434
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0387	0.0387
Echinococcus multilocularis	proteasome (prosome macropain) subunit beta type	0.0011	0.0434	0.0434
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.014	1	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0041	0.0041
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0387	0.0387
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0387	0.0387
Brugia malayi	proteasome subunit alpha type 3	0.0011	0.0434	0.0434
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0387	0.0387
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.075	0.075
Mycobacterium ulcerans	proteasome PrcB	0.014	1	1
Brugia malayi	splicing factor 3B subunit 3	0.0027	0.1676	0.1676
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0011	0.0434	0.0434
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0387	0.0387
Echinococcus multilocularis	Proteasome, subunit alpha beta	0.0011	0.0434	0.0434
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0005	0.0041	0.0041
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0011	0.0434	0.0434
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.014	1	1
Schistosoma mansoni	proteasome subunit alpha 4 (T01 family)	0.0011	0.0434	0.0434
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0387	0.0387
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0387	0.0387
Loa Loa (eye worm)	proteasome subunit alpha type 1	0.0011	0.0434	0.0434
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0387	0.0387
Loa Loa (eye worm)	hypothetical protein	0.001	0.0387	0.0387
Trichomonas vaginalis	spliceosomal protein sap, putative	0.0027	0.1676	0.1298
Brugia malayi	20S proteasome alpha5 subunit	0.0011	0.0434	0.0434
Loa Loa (eye worm)	hypothetical protein	0.001	0.0387	0.0387
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0387	0.0387
Brugia malayi	ecdysteroid receptor	0.001	0.0387	0.0387
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0387	0.0387
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0387	0.0387
Toxoplasma gondii	proteasome subunit beta type, putative	0.014	1	1
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0387	0.0387
Brugia malayi	Cytochrome P450 family protein	0.0015	0.075	0.075
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0387	0.0387
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.0011	0.0434	0.0434
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0387	0.0387
Toxoplasma gondii	splicing factor 3b, subunit 3, putative	0.0027	0.1676	0.1298
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.014	1	1
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.075	0.033
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0011	0.0434	0.0434
Brugia malayi	nuclear receptor RXR	0.0005	0.0041	0.0041
Onchocerca volvulus	Notchless protein homolog	0.0011	0.0434	0.2589
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0387	0.0387
Echinococcus granulosus	20S proteasome subunit alpha 6	0.0011	0.0434	0.0434
Brugia malayi	proteasome subunit alpha type 4	0.0011	0.0434	0.0434
Echinococcus granulosus	Proteasome subunit alpha type 7	0.0011	0.0434	0.0434
Trypanosoma brucei	cytochrome P450, putative	0.0015	0.075	0.033
Brugia malayi	Proteasome A-type and B-type family protein	0.0011	0.0434	0.0434
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0387	0.0387
Echinococcus multilocularis	subfamily T1A non peptidase ue	0.0011	0.0434	0.0434
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0387	0.0387
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.014	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0005	0.0041	0.0041
Brugia malayi	Proteasome subunit alpha type 7-1	0.0011	0.0434	0.0434
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0387	0.0387
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0011	0.0434	0.0434
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.014	1	1
Echinococcus multilocularis	proteasome (prosome, macropain)	0.014	1	1
Echinococcus multilocularis	proteasome subunit alpha type 2	0.0011	0.0434	0.0434
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0387	0.0387
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.014	1	1
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0011	0.0434	0.0434
Brugia malayi	nuclear hormone receptor	0.001	0.0387	0.0387
Echinococcus granulosus	proteasome subunit alpha type 6	0.0011	0.0434	0.0434
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0011	0.0434	0.0434
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.014	1	1
Schistosoma mansoni	proteasome subunit beta 4 (T01 family)	0.0011	0.0434	0.0434
Schistosoma mansoni	proteasome subunit alpha 7 (T01 family)	0.0011	0.0434	0.0434
Loa Loa (eye worm)	proteasome subunit alpha type 3	0.0011	0.0434	0.0434
Echinococcus granulosus	Proteasome subunit alpha beta	0.0011	0.0434	0.0434
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0011	0.0434	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0434	0.0434
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0387	0.0387
Loa Loa (eye worm)	hypothetical protein	0.001	0.0387	0.0387
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0387	0.0387
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0387	0.0387
Brugia malayi	hypothetical protein	0.0005	0.0041	0.0041
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0387	0.0387
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.0011	0.0434	0.0434
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0387	0.0387
Loa Loa (eye worm)	hypothetical protein	0.001	0.0387	0.0387
Brugia malayi	proteasome subunit beta type 2	0.0011	0.0434	0.0434

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	= 300 nM	Inhibition of CYP3A4	ChEMBL.	17350839
IC50 (ADMET)	= 300 nM	Inhibition of CYP3A4	ChEMBL.	17350839
Ki (binding)	= 44 nM	Displacement of [125I-Tyr13] from human MCH-R1 expressed in HEK 293 cells	ChEMBL.	17350839
Ki (binding)	= 44 nM	Displacement of [125I-Tyr13] from human MCH-R1 expressed in HEK 293 cells	ChEMBL.	17350839

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: CHEMBL266738

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 429186