TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 401.891 | Formula: C23H20ClN5
H donors: 0 H acceptors: 4 LogP: 4.03 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)C1(CCC1)c1nnc(n1C)c1ccc(cc1)c1cnccn1
InChi: 1S/C23H20ClN5/c1-29-21(17-5-3-16(4-6-17)20-15-25-13-14-26-20)27-28-22(29)23(11-2-12-23)18-7-9-19(24)10-8-18/h3-10,13-15H,2,11-12H2,1H3
InChiKey: PZAIZRLLCHXVBJ-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 9	Starlite/ChEMBL	References
Homo sapiens	hydroxysteroid (11-beta) dehydrogenase 1	Starlite/ChEMBL	References
Mus musculus	hydroxysteroid 11-beta dehydrogenase 1	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References
Mus musculus	hydroxysteroid 11-beta dehydrogenase 2	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	References
Homo sapiens	hydroxysteroid (11-beta) dehydrogenase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma cruzi	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
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
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	short chain dehydrogenase	Get druggable targets OG5_132866	All targets in OG5_132866
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium tuberculosis	Probable oxidoreductase	Get druggable targets OG5_132866	All targets in OG5_132866
Leishmania infantum	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
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
Leishmania donovani	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
Leishmania mexicana	cytochrome p450-like protein	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
Brugia malayi	Cytochrome P450 family protein	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 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
Leishmania braziliensis	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
Candida albicans	cytochrome P450 556	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
Loa Loa (eye worm)	cytochrome P450 family 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
Plasmodium falciparum	steroid dehydrogenase, putative	hydroxysteroid 11-beta dehydrogenase 1	292 aa	246 aa	25.2 %
Brugia malayi	cytochrome P450	cytochrome P450, family 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %
Plasmodium falciparum	steroid dehydrogenase, putative	hydroxysteroid (11-beta) dehydrogenase 1	292 aa	250 aa	24.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0286	0.3382	0.3946
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.0663	0.0707
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0158	0.2938
Loa Loa (eye worm)	MBCTL1	0.0054	0.0389	0.1304
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0047	0.0305	0.0237
Mycobacterium ulcerans	short chain dehydrogenase	0.0685	0.8528	0.963
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0158	0.1665
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.298	1
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0115	0.1179	0.1321
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0147	0.0093
Schistosoma mansoni	hypothetical protein	0.004	0.0216	0.0175
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0069	0.0232
Schistosoma mansoni	patched 1	0.0042	0.0236	0.0198
Schistosoma mansoni	hypothetical protein	0.004	0.0216	0.0175
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0161	0.1769	0.5936
Mycobacterium ulcerans	anthranilate phosphoribosyltransferase	0.0201	0.2284	0.2579
Echinococcus granulosus	lysosomal alpha glucosidase	0.0161	0.1769	0.1934
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0094	0.0912	0.0849
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0065	0.0537	0.0558
Trichomonas vaginalis	glucosylceramidase, putative	0.0176	0.1967	0.6412
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0065	0.0537	0.1804
Loa Loa (eye worm)	glutamate receptor	0.004	0.0211	0.0708
Brugia malayi	Bromodomain containing protein	0.0029	0.0069	0.0232
Schistosoma mansoni	alpha-glucosidase	0.0138	0.148	0.1681
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0158	0.1665
Onchocerca volvulus		0.0026	0.0028	0.0149
Trichomonas vaginalis	glucosylceramidase, putative	0.0167	0.1851	0.6002
Echinococcus multilocularis	Niemann Pick C1 protein	0.0097	0.095	0.0886
Trichomonas vaginalis	glucosylceramidase, putative	0.0167	0.1851	0.6002
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0214	0.0146
Echinococcus granulosus	transcription factor Dp 1	0.0038	0.0184	0.0131
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0255	0.298	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0094	0.0912	0.0959
Onchocerca volvulus		0.0093	0.0896	0.4839
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0236	0.0275
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0101	0.1	0.3357
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0069	0.0232
Leishmania major	hypothetical protein, conserved	0.0025	0.0019	0.0354
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0097	0.095	1
Brugia malayi	Cytochrome P450 family protein	0.0036	0.0161	0.054
Echinococcus multilocularis	protein dispatched 1	0.0048	0.0311	0.0244
Trichomonas vaginalis	glucosylceramidase, putative	0.0167	0.1851	0.6002
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0054	0.0389	0.0364
Schistosoma mansoni	hypothetical protein	0.004	0.0216	0.0175
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0185	0.2087	0.2032
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0054	0.0389	0.038
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0334	0.112
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0085	0.0789	0.0819
Echinococcus granulosus	SAM and MBT domain containing protein	0.0047	0.0305	0.0268
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0537	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.298	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0161	0.1769	0.1711
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0065	0.0537	0.1804
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.298	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0167	0.1851	0.6002
Loa Loa (eye worm)	hypothetical protein	0.0097	0.095	0.3187
Trypanosoma brucei	glucosidase, putative	0.0036	0.0158	0.2938
Loa Loa (eye worm)	cytochrome P450 family protein	0.0036	0.0161	0.054
Mycobacterium tuberculosis	Probable anthranilate phosphoribosyltransferase TrpD	0.0201	0.2284	0.2579
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1255	0.4213
Echinococcus granulosus	neutral alpha glucosidase AB	0.0036	0.0158	0.0101
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0124	0.1301	0.1402
Echinococcus granulosus	geminin	0.0167	0.1851	0.2028
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0065	0.0537	0.566
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0069	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0099	0.0969	0.1072
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0356	0.1196
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0305	0.0281
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0036	0.0158	0.0531
Onchocerca volvulus	Huntingtin homolog	0.0121	0.1255	0.6779
Schistosoma mansoni	hypothetical protein	0.004	0.0216	0.0175
Brugia malayi	mbt repeat family protein	0.0047	0.0305	0.1023
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0047	0.0305	0.1646
Brugia malayi	jmjC domain containing protein	0.0035	0.0147	0.0494
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0305	0.0281
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0054	0.0389	0.1304
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0236	0.0189
Echinococcus multilocularis	protein patched	0.0042	0.0236	0.0168
Schistosoma mansoni	metabotropic glutamate receptor	0.0049	0.0333	0.0314
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.298	1
Leishmania major	alpha glucosidase II subunit, putative	0.0036	0.0158	0.2942
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0019	0.0348
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0147	0.0078
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0026	0.0032	0.0109
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0464	0.1556
Loa Loa (eye worm)	glutamate receptor	0.0101	0.1	0.3357
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0255	0.298	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0167	0.1851	0.6002
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0065	0.0537	1
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0185	0.2087	0.2296
Mycobacterium tuberculosis	Probable oxidoreductase	0.0685	0.8528	0.963
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0036	0.0158	0.0531
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0019	0.0348
Echinococcus multilocularis	geminin	0.0167	0.1851	0.1795
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0147	0.0089
Echinococcus granulosus	Niemann Pick C1 protein	0.0139	0.1486	0.1613
Echinococcus multilocularis	polycomb protein SCMH1	0.0047	0.0305	0.0237
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0161	0.1769	0.1711
Trichomonas vaginalis	glucosylceramidase, putative	0.0167	0.1851	0.6002
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0019	0.0348
Echinococcus multilocularis	microtubule associated protein 2	0.068	0.8465	0.8454
Brugia malayi	jmjC domain containing protein	0.0094	0.0912	0.306
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase)	0.0711	0.8856	1
Echinococcus multilocularis	thymidine phosphorylase	0.0711	0.8856	0.8848
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0026	0.0032	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1255	0.4213
Schistosoma mansoni	alpha glucosidase	0.0036	0.0158	0.0106
Echinococcus granulosus	polycomb protein SCMH1	0.0047	0.0305	0.0268
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0147	0.0093
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0092	0.0878	0.2946
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0389	0.1304
Brugia malayi	CHE-14 protein	0.0042	0.0236	0.0791
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.298	1
Echinococcus multilocularis	transcription factor Dp 1	0.0038	0.0184	0.0116
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0047	0.0305	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0032	0.0109
Brugia malayi	hypothetical protein	0.0025	0.0019	0.0064
Giardia lamblia	PHD finger protein 15	0.0029	0.0069	0.5
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0305	0.1023
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0147	0.0494
Onchocerca volvulus		0.0047	0.0305	0.1646
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0019	0.0064
Echinococcus granulosus	thymidine phosphorylase	0.0711	0.8856	1
Echinococcus granulosus	expressed conserved protein	0.0091	0.0874	0.0916
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0054	0.0389	0.0322
Echinococcus granulosus	histone acetyltransferase MYST2	0.0054	0.0389	0.0364
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0085	0.0789	0.0725
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0036	0.0158	1
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0065	0.0537	0.0533
Echinococcus multilocularis	Niemann Pick C1 protein	0.0139	0.1486	0.1427
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0161	0.1769	0.5936
Trichomonas vaginalis	glucosylceramidase, putative	0.0167	0.1851	0.6002
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0236	0.0189
Schistosoma mansoni	alpha-glucosidase	0.0138	0.148	0.1681
Schistosoma mansoni	hypothetical protein	0.0167	0.1851	0.2123
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0537	1
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0054	0.0389	0.0322
Schistosoma mansoni	microtubule-associated protein tau	0.068	0.8465	1
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1301	0.4367
Loa Loa (eye worm)	mbt repeat family protein	0.0047	0.0305	0.1023
Onchocerca volvulus	Alhambra homolog	0.0029	0.0069	0.0374
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0158	0.2938
Brugia malayi	hypothetical protein	0.0121	0.1255	0.4213
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0236	0.0791
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0065	0.0537	0.0471
Mycobacterium ulcerans	thymidine phosphorylase	0.0711	0.8856	1
Echinococcus multilocularis	expressed conserved protein	0.0091	0.0874	0.081
Schistosoma mansoni	metabotropic glutamate receptor	0.0085	0.0789	0.0857
Onchocerca volvulus	Glucosylceramidase homolog	0.0167	0.1851	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0097	0.095	0.3187
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0069	0.3606
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0124	0.1301	0.124
Mycobacterium leprae	Probable anthranilate phosphoribosyltransferase TrpD	0.0201	0.2284	1
Brugia malayi	mbt repeat family protein	0.0047	0.0305	0.1023
Brugia malayi	Receptor family ligand binding region containing protein	0.0026	0.0032	0.0109
Schistosoma mansoni	hypothetical protein	0.0167	0.1851	0.2123
Echinococcus granulosus	microtubule associated protein 2	0.068	0.8465	0.9555
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0069	0.3606
Brugia malayi	PHD-finger family protein	0.0029	0.0069	0.0232
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0537	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0791
Brugia malayi	metabotropic glutamate receptor type 2	0.0049	0.0333	0.1118
Trichomonas vaginalis	glucosylceramidase, putative	0.0176	0.1967	0.6412
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0036	0.0158	0.009
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0069	1
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0214	0.0165
Echinococcus granulosus	Niemann Pick C1 protein	0.0097	0.095	0.1002
Onchocerca volvulus	Huntingtin homolog	0.0121	0.1255	0.6779
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.298	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0236	0.0168

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 23 %	Agonist activity at PXR at 10 uM	ChEMBL.	21334894
AUC (ADMET)	= 0.21 uM.hr.Kg/mg	Normalized AUC in po dosed C57BL/6 mouse	ChEMBL.	21334894
CL (ADMET)	= 54 ml/min.kg	Blood clearance in C57BL/6 mouse	ChEMBL.	21334894
EC50 (functional)	> 30 uM	Agonist activity at PXR	ChEMBL.	21334894
F (ADMET)	= 30 %	Oral bioavailability in C57BL/6 mouse	ChEMBL.	21334894
IC50 (binding)	< 1 nM	Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting	ChEMBL.	21334894
IC50 (binding)	= 2.3 nM	Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting	ChEMBL.	21334894
IC50 (binding)	> 4000 nM	Inhibition of human 11beta-HSD2	ChEMBL.	21334894
IC50 (binding)	> 4000 nM	Inhibition of mouse 11beta-HSD2	ChEMBL.	21334894
IC50 (ADMET)	= 10 uM	Inhibition of CYP3A4	ChEMBL.	21334894
IC50 (ADMET)	= 13 uM	Inhibition of CYP2C9	ChEMBL.	21334894
IC50 (ADMET)	= 16 uM	Inhibition of CYP2D6	ChEMBL.	21334894
Inhibition (functional)	= 79 %	Inhibition of 11beta-HSD1 in ICR mouse assessed as conversion of [3H]cortisone to [3H]cortisol at 10 mg/kg, po after 16 hrs by scintillation counting	ChEMBL.	21334894
Inhibition (functional)	= 93 %	Inhibition of 11beta-HSD1 in ICR mouse assessed as conversion of [3H]cortisone to [3H]cortisol at 10 mg/kg, po after 4 hrs by scintillation counting	ChEMBL.	21334894
T1/2 (ADMET)	= 0.7 hr	Half life in C57BL/6 mouse	ChEMBL.	21334894

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: CHEMBL1760794

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 1512743