TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 642.71 | Formula: C38H39FO8
H donors: 2 H acceptors: 4 LogP: 8.4 Rotable bonds: 18
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccccc2F)c2ccc3c(c2)OCO3)cccc1OCCCC(=O)O
InChi: 1S/C38H39FO8/c39-33-12-5-4-11-31(33)29-21-28(27-15-17-35-36(24-27)47-25-46-35)22-30(23-29)44-19-6-2-1-3-9-26-10-7-13-34(32(26)16-18-38(42)43)45-20-8-14-37(40)41/h4-5,7,10-13,15,17,21-24H,1-3,6,8-9,14,16,18-20,25H2,(H,40,41)(H,42,43)
InChiKey: WMYNTTGGSSIVHK-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 2, subfamily C, polypeptide 19	Starlite/ChEMBL	References
Homo sapiens	leukotriene B4 receptor	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 1, subfamily A, polypeptide 2	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 9	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	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
Trypanosoma brucei	cytochrome P450, putative	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
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_126582	All targets in OG5_126582
Loa Loa (eye worm)	cytochrome P450 family 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
Leishmania braziliensis	cytochrome p450-like protein	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
Leishmania donovani	cytochrome p450-like protein	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
Leishmania infantum	cytochrome p450-like protein	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
Trypanosoma cruzi	cytochrome P450, putative	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
Candida albicans	cytochrome P450 56	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
Trypanosoma brucei gambiense	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
Trypanosoma cruzi	cytochrome P450, putative	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
Leishmania major	cytochrome p450-like protein	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 %
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 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0682	0.1412
Toxoplasma gondii	peptidylprolyl isomerase	0.0033	0.0718	0.5075
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0021	0.0428	0.464
Schistosoma mansoni	cercarial elastase (S01 family)	0.0006	0.0065	0.005
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.013	0.0148
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0021	0.0428	0.464
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0021	0.0428	0.464
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1042	0.0983
Mycobacterium leprae	Conserved hypothetical protein	0.0021	0.0428	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0067	0.1536	0.3367
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0021	0.0428	0.464
Echinococcus multilocularis	cpg binding protein	0.0031	0.0662	0.0601
Entamoeba histolytica	CAAX amino terminal protease family	0.0039	0.0846	0.0345
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0021	0.0428	0.464
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0682	0.1412
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0033	0.0718	0.1297
Brugia malayi	Trypsin family protein	0.0097	0.2238	0.4974
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0033	0.0718	0.1297
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0039	0.0846	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0006	0.0065	0.005
Toxoplasma gondii	hypothetical protein	0.0039	0.0846	0.625
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0074	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0153	0.3597	0.8087
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0034	0.0738	0.1539
Schistosoma mansoni	cercarial elastase (S01 family)	0.0006	0.0065	0.005
Echinococcus multilocularis	dnaJ subfamily B	0.0419	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.1042	0.2236
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0033	0.0718	0.1297
Treponema pallidum	hypothetical protein	0.0039	0.0846	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0153	0.3597	0.8087
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2238	0.4974
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.0168
Wolbachia endosymbiont of Brugia malayi	parvulin-like peptidyl-prolyl isomerase, PPID	0.001	0.0164	0.5
Leishmania major	CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48)	0.0188	0.4433	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0006	0.0065	0.005
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.009	0.0025
Echinococcus granulosus	cytochrome P450 2K1	0.0021	0.0428	0.0365
Trichomonas vaginalis	rotamase, putative	0.0033	0.0718	0.162
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0738	0.1664
Echinococcus granulosus	expressed protein	0.0034	0.0738	0.0677
Chlamydia trachomatis	hypothetical protein	0.0039	0.0846	0.5
Mycobacterium ulcerans	integral membrane protein	0.0039	0.0846	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0006	0.0065	0.005
Schistosoma mansoni	cercarial elastase (S01 family)	0.0006	0.0065	0.005
Onchocerca volvulus		0.0097	0.2238	1
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0021	0.0428	0.464
Schistosoma mansoni	cercarial elastase (S01 family)	0.0006	0.0065	0.005
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0021	0.0428	0.464
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0021	0.0428	0.0617
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0006	0.0065	0.005
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0021	0.0428	0.464
Echinococcus granulosus	muscleblind protein	0.0153	0.3597	0.3555
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.0039	0.0846	1
Loa Loa (eye worm)	CYP4Cod1	0.0032	0.0682	0.1412
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.0168
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0074	0.0168
Trypanosoma brucei	CAAX amino terminal protease, putative	0.0188	0.4433	1
Onchocerca volvulus		0.009	0.2086	0.9303
Schistosoma mansoni	cercarial elastase (S01 family)	0.0006	0.0065	0.005
Echinococcus multilocularis	muscleblind protein 1	0.0153	0.3597	0.3555
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1042	0.0983
Entamoeba histolytica	CAAX amino terminal protease family	0.0039	0.0846	0.0345
Echinococcus multilocularis	CAAX prenyl protease 2	0.0188	0.4433	0.4396
Schistosoma mansoni	cpg binding protein	0.0029	0.0622	0.0608
Loa Loa (eye worm)	cytochrome P450	0.0021	0.0428	0.083
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0034	0.0738	0.1539
Trichomonas vaginalis	rotamase, putative	0.0034	0.0738	0.1664
Schistosoma mansoni	hypothetical protein	0.0006	0.0065	0.005
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.1416	0.1403
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0006	0.0065	0.005
Onchocerca volvulus		0.0029	0.0622	0.2563
Trypanosoma cruzi	CAAX prenyl protease 2, putative	0.0188	0.4433	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2238	0.4974
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.1042	0.2236
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0021	0.0428	0.464
Plasmodium vivax	protease, putative	0.0039	0.0846	0.5
Brugia malayi	CAAX amino terminal protease family protein	0.0188	0.4433	1
Schistosoma mansoni	hypothetical protein	0.0419	1	1
Loa Loa (eye worm)	hypothetical protein	0.0188	0.4433	1
Schistosoma mansoni	rotamase	0.0034	0.0738	0.0723
Schistosoma mansoni	cercarial elastase (S01 family)	0.0006	0.0065	0.005
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.0168
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0021	0.0428	0.464
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0074	0.0168
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0021	0.0428	0.464
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0188	0.4433	0.4424
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0021	0.0428	0.464
Schistosoma mansoni	cercarial elastase (S01 family)	0.0006	0.0065	0.005
Echinococcus multilocularis	muscleblind protein	0.0153	0.3597	0.3555
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.1256	1
Schistosoma mansoni	cytochrome P450	0.0021	0.0428	0.0413
Giardia lamblia	Hypothetical protein	0.0188	0.4433	0.5
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0021	0.0428	0.0617
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0097	0.2238	0.2226
Brugia malayi	Cytochrome P450 family protein	0.0021	0.0428	0.083
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0168	0.0236
Schistosoma mansoni	cpg binding protein	0.0031	0.0662	0.0648
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0622	0.1275
Trichomonas vaginalis	Clan U, family U48, CaaX prenyl peptidase 2-like	0.0188	0.4433	1
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0021	0.0428	0.464
Echinococcus multilocularis	expressed protein	0.0034	0.0738	0.0677
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0021	0.0428	0.464
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.0168
Trypanosoma cruzi	cytochrome P450, putative	0.0032	0.0682	0.1213
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0074	0.0168
Toxoplasma gondii	hypothetical protein	0.0039	0.0846	0.625
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0021	0.0428	0.464
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0133	0.0068
Trypanosoma cruzi	peptidase with unknown catalytic mechanism (family U48)	0.0188	0.4433	1
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0021	0.0428	0.464
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0074	0.0168
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0021	0.0428	0.2414
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.0168
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0021	0.0428	0.464
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0021	0.0428	0.0617
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1042	0.1028
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0074	0.0168
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0622	0.1275
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0846	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0097	0.2238	0.2226
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0074	0.0168
Trypanosoma brucei	cytochrome P450, putative	0.0032	0.0682	0.1213
Schistosoma mansoni	cercarial elastase (S01 family)	0.0006	0.0065	0.005
Schistosoma mansoni	hypothetical protein	0.0021	0.0428	0.0413
Schistosoma mansoni	cpg binding protein	0.0031	0.0662	0.0648
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0188	0.4433	0.4424
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0133	0.0068
Schistosoma mansoni	hypothetical protein	0.0006	0.0065	0.005
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0021	0.0428	0.464
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1042	0.0983
Brugia malayi	Muscleblind-like protein	0.0153	0.3597	0.8087
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0021	0.0428	0.0617
Brugia malayi	cytochrome P450	0.0021	0.0428	0.083
Entamoeba histolytica	CAAX prenyl protease family	0.0188	0.4433	1
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0846	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.0168
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.0168
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1042	0.1028
Echinococcus granulosus	cpg binding protein	0.0031	0.0662	0.0601
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.009	0.0025
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0021	0.0428	0.0617
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0032	0.0682	0.7898
Toxoplasma gondii	CAAX amino terminal protease family protein	0.0039	0.0846	0.625
Mycobacterium tuberculosis	Probable integral membrane protein	0.0039	0.0846	1
Trypanosoma cruzi	cytochrome P450, putative	0.0032	0.0682	0.1213
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1042	0.1028
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.009	0.0025
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0021	0.0428	0.464
Leishmania major	cytochrome p450-like protein	0.0032	0.0682	0.1213
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0006	0.0065	0.005
Mycobacterium leprae	putative cytochrome p450	0.0021	0.0428	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0074	0.0168
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0021	0.0428	0.464
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0006	0.0065	0.005
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1042	0.0983
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0033	0.0718	0.1297
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.009	0.0074
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0133	0.0155
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0682	0.1412
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.009	0.0025
Echinococcus multilocularis		0.0021	0.0428	0.0365
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0074	0.0168
Plasmodium falciparum	protease, putative	0.0039	0.0846	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0006	0.0065	0.005
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0682	0.1412
Leishmania major	cytochrome p450-like protein	0.0021	0.0428	0.0617
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.0039	0.0846	1
Trichomonas vaginalis	helicase, putative	0.0007	0.0074	0.0168
Echinococcus granulosus	CAAX prenyl protease 2	0.0188	0.4433	0.4396
Leishmania major	cytochrome p450-like protein	0.0021	0.0428	0.0617
Schistosoma mansoni	cercarial elastase (S01 family)	0.0006	0.0065	0.005
Brugia malayi	Cytochrome P450 family protein	0.0067	0.1536	0.3367

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)		Inhibition of CYP2C9 by LC/MS method	ChEMBL.	20380377
IC50 (functional)	= 0.61 nM	Antagonist activity at BLT1 receptor expressed in human HL60 cells assessed as inhibition of LTB4-stimulated calcium flux after 30 mins	ChEMBL.	20380377
IC50 (ADMET)	> 7.5 uM	Inhibition of CYP1A2 by fluorescence method	ChEMBL.	20380377
IC50 (ADMET)	> 7.5 uM	Inhibition of CYP2D6 fluorescence method	ChEMBL.	20380377
IC50 (ADMET)	> 7.5 uM	Inhibition of CYP2C19 fluorescence method	ChEMBL.	20380377
IC50 (ADMET)	> 7.5 uM	Inhibition of CYP3A4 fluorescence method	ChEMBL.	20380377
IC50 (ADMET)	= 7.6 uM	Inhibition of CYP2C9 fluorescence method	ChEMBL.	20380377

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.

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External resources for this compound

ChEMBL: CHEMBL1094349

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1110667