TDR Targets

Basic information

Technical information

TDR Targets ID: 105768
Name: N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl )acetamide
MW: 345.391 | Formula: C22H19NO3
H donors: 1 H acceptors: 1 LogP: 3.93 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc2c1c1ccc(cc1C(O2)c1ccccc1)NC(=O)C
InChi: 1S/C22H19NO3/c1-14(24)23-16-11-12-17-18(13-16)22(15-7-4-3-5-8-15)26-20-10-6-9-19(25-2)21(17)20/h3-13,22H,1-2H3,(H,23,24)
InChiKey: NPJUEJROUXNDFX-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

N-(1-methoxy-6-phenyl-6H-benzo[c][1]benzopyran-8-yl)acetamide
N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear receptor subfamily 3, group C, member 1 (glucocorticoid receptor)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Trichomonas vaginalis	cyclin B, putative	0.027	0.0605	0.2969
Trichomonas vaginalis	CMGC family protein kinase	0.0266	0.0591	0.2882
Mycobacterium tuberculosis	Possible penicillin-binding lipoprotein	0.0218	0.0412	0.0386
Mycobacterium ulcerans	penicillin-binding lipoprotein	0.0218	0.0412	0.0698
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0266	0.0591	0.4669
Onchocerca volvulus		0.027	0.0605	0.4786
Mycobacterium ulcerans	lipase LipD	0.0441	0.1235	0.219
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0266	0.0591	0.4669
Loa Loa (eye worm)	beta-lactamase	0.0441	0.1235	0.5866
Loa Loa (eye worm)	hypothetical protein	0.027	0.0605	0.2807
Entamoeba histolytica	cell division protein kinase 2, putative	0.0266	0.0591	0.9705
Trichomonas vaginalis	cyclins, putative	0.027	0.0605	0.2969
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0441	0.1235	0.5866
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0432	0.1202	0.5703
Trichomonas vaginalis	CMGC family protein kinase	0.0171	0.0241	0.0722
Echinococcus multilocularis	cyclins	0.014	0.0124	0.0473
Trichomonas vaginalis	cyclins, putative	0.027	0.0605	0.2969
Mycobacterium ulcerans	multidrug-transport integral membrane protein Mmr	0.0223	0.0434	0.0737
Brugia malayi	beta-lactamase	0.0441	0.1235	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.027	0.0605	0.4786
Mycobacterium tuberculosis	Probable penicillin-binding protein DacB1 (D-alanyl-D-alanine carboxypeptidase) (DD-peptidase) (DD-carboxypeptidase) (PBP) (DD-t	0.0147	0.0153	0.0127
Giardia lamblia	Kinase, CMGC GSK	0.0171	0.0241	0.243
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0266	0.0591	0.2739
Chlamydia trachomatis	transglycolase/transpeptidase	0.0218	0.0412	1
Trypanosoma brucei	cdc2-related kinase 1	0.0266	0.0591	0.2865
Mycobacterium tuberculosis	Probable lipase LipD	0.0441	0.1235	0.1212
Trichomonas vaginalis	D-aminoacylase, putative	0.0441	0.1235	0.686
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0171	0.0241	0.104
Mycobacterium ulcerans	beta-lactamase	0.0441	0.1235	0.219
Loa Loa (eye worm)	hypothetical protein	0.027	0.0605	0.2807
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1609	0.5546	1
Mycobacterium ulcerans	lipoprotein LpqF	0.0502	0.1462	0.2601
Plasmodium vivax	protein kinase Crk2	0.0266	0.0591	0.4669
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.027	0.0605	0.4786
Echinococcus granulosus	cyclin dependent kinase 5	0.0266	0.0591	0.2739
Echinococcus granulosus	cyclin b3	0.014	0.0124	0.0473
Loa Loa (eye worm)	hypothetical protein	0.0441	0.1235	0.5866
Brugia malayi	Cyclin, N-terminal domain containing protein	0.027	0.0605	0.4786
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqF	0.0502	0.1462	0.1439
Echinococcus granulosus	cyclin dependent kinase 1	0.0266	0.0591	0.2739
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0171	0.0241	0.104
Trypanosoma brucei	mitotic cyclin 6	0.027	0.0605	0.2981
Trypanosoma cruzi	cyclin, putative	0.027	0.0605	0.4786
Treponema pallidum	penicillin-binding protein (pbp-2)	0.0579	0.1744	1
Leishmania major	hypothetical protein, conserved	0.0441	0.1235	1
Mycobacterium leprae	Probable penicillin-binding protein PbpA	0.0218	0.0412	0.2242
Trichomonas vaginalis	CMGC family protein kinase	0.0171	0.0241	0.0722
Mycobacterium leprae	PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE	0.0579	0.1744	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0432	0.1202	0.9722
Toxoplasma gondii	histone lysine-specific demethylase	0.0113	0.0027	0.0218
Onchocerca volvulus		0.0441	0.1235	1
Giardia lamblia	Kinase, CMGC CDK	0.0266	0.0591	0.9705
Echinococcus multilocularis	cyclin dependent kinase 1	0.0266	0.0591	0.2739
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0441	0.1235	0.1212
Loa Loa (eye worm)	hypothetical protein	0.0441	0.1235	0.5866
Loa Loa (eye worm)	hypothetical protein	0.013	0.009	0.0305
Entamoeba histolytica	protein kinase domain containing protein	0.0171	0.0241	0.243
Entamoeba histolytica	protein kinase domain containing protein	0.0171	0.0241	0.243
Trypanosoma brucei	beta lactamase	0.0502	0.1462	1
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.1046	0.347	0.6239
Echinococcus multilocularis	cyclins	0.014	0.0124	0.0473
Trichomonas vaginalis	penicillin-binding protein, putative	0.0441	0.1235	0.686
Schistosoma mansoni	serine/threonine protein kinase	0.0266	0.0591	0.2739
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0266	0.0591	0.2739
Brugia malayi	cell division control protein 2 homolog	0.0266	0.0591	0.4669
Echinococcus multilocularis	cyclins	0.014	0.0124	0.0473
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0171	0.0241	0.1774
Echinococcus granulosus	cyclins	0.014	0.0124	0.0473
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0575	0.2659
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0266	0.0591	0.2739
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0441	0.1235	0.1212
Trichomonas vaginalis	conserved hypothetical protein	0.0579	0.1744	1
Echinococcus granulosus	cyclins	0.014	0.0124	0.0473
Trichomonas vaginalis	cyclins, putative	0.027	0.0605	0.2969
Toxoplasma gondii	ABC1 family protein	0.0441	0.1235	1
Trypanosoma brucei	hypothetical protein, conserved	0.0441	0.1235	0.8142
Loa Loa (eye worm)	hypothetical protein	0.0321	0.0795	0.3729
Mycobacterium ulcerans	multidrugs-transport integral membrane protein Mmr-like	0.0887	0.2884	0.5176
Mycobacterium leprae	POSSIBLE PENICILLIN-BINDING LIPOPROTEIN	0.0218	0.0412	0.2242
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.1496	0.5128	0.5114
Echinococcus multilocularis	cyclins	0.014	0.0124	0.0473
Loa Loa (eye worm)	hypothetical protein	0.0321	0.0795	0.3729
Trichomonas vaginalis	cyclin A, putative	0.027	0.0605	0.2969
Echinococcus granulosus	protein kinase shaggy	0.0171	0.0241	0.104
Loa Loa (eye worm)	hypothetical protein	0.0672	0.2087	1
Mycobacterium tuberculosis	Conserved protein	0.0441	0.1235	0.1212
Brugia malayi	beta-lactamase family protein	0.0441	0.1235	1
Echinococcus granulosus	cyclin dependent kinase 5 activator 1	0.0672	0.2087	1
Schistosoma mansoni	cyclin B3	0.0432	0.1202	0.5703
Mycobacterium tuberculosis	Probable esterase LipL	0.0441	0.1235	0.1212
Plasmodium falciparum	glycogen synthase kinase 3	0.0171	0.0241	0.3799
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0441	0.1235	0.5866
Trypanosoma cruzi	cyclin 6, putative	0.027	0.0605	0.4786
Echinococcus granulosus	cyclin B3 1	0.014	0.0124	0.0473
Brugia malayi	Protein kinase domain containing protein	0.0266	0.0591	0.4669
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0113	0.0027	0.0218
Mycobacterium tuberculosis	Conserved protein	0.0441	0.1235	0.1212
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0171	0.0241	0.104
Loa Loa (eye worm)	cyclin domain-containing protein	0.0432	0.1202	0.5703
Trichomonas vaginalis	cyclin B, putative	0.027	0.0605	0.2969
Entamoeba histolytica	cyclin, putative	0.027	0.0605	1
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0266	0.0591	0.2739
Echinococcus multilocularis	cyclins	0.014	0.0124	0.0473
Echinococcus multilocularis	protein kinase shaggy	0.0171	0.0241	0.104
Mycobacterium tuberculosis	Conserved protein	0.0441	0.1235	0.1212
Mycobacterium tuberculosis	Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen	0.0393	0.1059	0.1035
Trichomonas vaginalis	D-aminoacylase, putative	0.0441	0.1235	0.686
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0432	0.1202	0.5703
Mycobacterium tuberculosis	Probable hydrolase	0.0441	0.1235	0.1212
Trypanosoma cruzi	cdc2-related kinase 3	0.0266	0.0591	0.4669
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0441	0.1235	0.5866
Trichomonas vaginalis	CMGC family protein kinase	0.0266	0.0591	0.2882
Mycobacterium ulcerans	D-alanyl-D-alanine carboxypeptidase	0.0147	0.0153	0.0229
Mycobacterium ulcerans	bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2	0.0393	0.1059	0.187
Echinococcus multilocularis	cyclins	0.014	0.0124	0.0473
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsI	0.0218	0.0412	1
Trypanosoma brucei	cdc2-related kinase 3	0.0266	0.0591	0.2865
Echinococcus multilocularis	cyclin dependent kinase 5 activator 1	0.0672	0.2087	1
Onchocerca volvulus		0.0171	0.0241	0.1774
Schistosoma mansoni	cyclin-dependent kinase 5 activator	0.0672	0.2087	1
Mycobacterium tuberculosis	Probable penicillin-binding protein DacB2 (D-alanyl-D-alanine carboxypeptidase) (DD-peptidase) (DD-carboxypeptidase) (PBP) (DD-t	0.0147	0.0153	0.0127
Mycobacterium leprae	conserved hypothetical protein	0.0441	0.1235	0.7038
Trypanosoma cruzi	cdc2-related kinase 3	0.0266	0.0591	0.4669
Echinococcus multilocularis	cyclins	0.014	0.0124	0.0473
Plasmodium falciparum	protein kinase 5	0.0266	0.0591	1
Mycobacterium leprae	Probable lipase LipE	0.0441	0.1235	0.7038
Loa Loa (eye worm)	hypothetical protein	0.0441	0.1235	0.5866
Echinococcus multilocularis	cyclin B3 1	0.014	0.0124	0.0473
Echinococcus granulosus	cyclins	0.014	0.0124	0.0473
Echinococcus multilocularis	cyclin B	0.027	0.0605	0.2807
Mycobacterium leprae	PROBABLE CONSERVED LIPOPROTEIN LPQF	0.0502	0.1462	0.8359
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1609	0.5546	1
Schistosoma mansoni	serine/threonine protein kinase	0.0266	0.0591	0.2739
Mycobacterium leprae	Probable D-alanyl-D-alanine carboxypeptidase DacB1 (PENICILLIN-BINDING PROTEIN) (DD-PEPTIDASE) (DD-CARBOXYPEPTIDASE) (PBP) (DD-T	0.0147	0.0153	0.0735
Trypanosoma cruzi	cyclin, putative	0.027	0.0605	0.4786
Echinococcus multilocularis	cyclin b3	0.014	0.0124	0.0473
Echinococcus granulosus	beta LACTamase domain containing family member	0.0441	0.1235	0.5866
Trypanosoma cruzi	cdc2-related kinase 1	0.0266	0.0591	0.4669
Trypanosoma cruzi	hypothetical protein, conserved	0.0441	0.1235	1
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0266	0.0591	0.4785
Mycobacterium ulcerans	esterase/lipase LipP	0.0441	0.1235	0.219
Trichomonas vaginalis	cyclin B, putative	0.027	0.0605	0.2969
Brugia malayi	intracellular kinase	0.0171	0.0241	0.1774
Treponema pallidum	penicillin-binding protein (pbp-1)	0.0218	0.0412	0.1627
Trichomonas vaginalis	D-aminoacylase, putative	0.0441	0.1235	0.686
Echinococcus granulosus	cyclin dependent kinase	0.0266	0.0591	0.2739
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0441	0.1235	0.1212
Trypanosoma cruzi	hypothetical protein, conserved	0.0441	0.1235	1
Trypanosoma cruzi	cdc2-related kinase 1	0.0266	0.0591	0.4669
Mycobacterium tuberculosis	Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase	0.0186	0.0294	0.0268
Trichomonas vaginalis	cyclins, putative	0.0164	0.0214	0.0554
Trypanosoma cruzi	CYC2-like cyclin, putative	0.027	0.0605	0.4786
Trichomonas vaginalis	penicillin-binding protein, putative	0.0441	0.1235	0.686
Mycobacterium leprae	PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN	0.0393	0.1059	0.601
Mycobacterium ulcerans	penicillin-binding membrane protein PbpB	0.0218	0.0412	0.0698
Onchocerca volvulus		0.0441	0.1235	1
Mycobacterium ulcerans	hypothetical protein	0.0441	0.1235	0.219
Brugia malayi	hypothetical protein	0.0321	0.0795	0.6357
Plasmodium vivax	hypothetical protein, conserved	0.0441	0.1235	1
Echinococcus granulosus	cyclins	0.014	0.0124	0.0473
Onchocerca volvulus		0.0441	0.1235	1
Schistosoma mansoni	cyclin B	0.027	0.0605	0.2807
Chlamydia trachomatis	transglycolase/transpeptidase	0.0218	0.0412	1
Loa Loa (eye worm)	hypothetical protein	0.0441	0.1235	0.5866
Giardia lamblia	G2/mitotic-specific cyclin B	0.027	0.0605	1
Loa Loa (eye worm)	hypothetical protein	0.0441	0.1235	0.5866
Mycobacterium ulcerans	penicillin-binding protein DacC	0.0147	0.0153	0.0229
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0171	0.0241	0.1774
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0441	0.1235	1
Treponema pallidum	penicillin-binding protein (pbp-3)	0.0218	0.0412	0.1627
Mycobacterium ulcerans	bifunctional penicillin-binding protein 1A/1B PonA1	0.0579	0.1744	0.3111
Schistosoma mansoni	cyclins	0.014	0.0124	0.0473
Echinococcus multilocularis	cyclin dependent kinase	0.0266	0.0591	0.2739
Mycobacterium ulcerans	penicillin-binding protein PbpA	0.0218	0.0412	0.0698
Plasmodium falciparum	cyclin	0.014	0.0124	0.1728
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0171	0.0241	0.104
Giardia lamblia	Kinase, CMGC CDK	0.0266	0.0591	0.9705
Trichomonas vaginalis	CMGC family protein kinase	0.0266	0.0591	0.2882
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0171	0.0241	0.104
Leishmania major	cyclin	0.027	0.0605	0.4786
Echinococcus granulosus	cyclin B	0.027	0.0605	0.2807
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0441	0.1235	0.5866
Mycobacterium tuberculosis	Probable penicillin-binding protein PbpA	0.0218	0.0412	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0441	0.1235	0.5866
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	0.1046	0.347	0.3452
Echinococcus granulosus	cyclins	0.014	0.0124	0.0473
Echinococcus multilocularis	cyclin dependent kinase 1	0.0266	0.0591	0.2739
Entamoeba histolytica	cell division protein kinase 2, putative	0.0266	0.0591	0.9705
Trichomonas vaginalis	esterase, putative	0.0441	0.1235	0.686
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0441	0.1235	0.219
Echinococcus multilocularis	cyclin dependent kinase 5	0.0266	0.0591	0.2739
Giardia lamblia	Kinase, CMGC GSK	0.0171	0.0241	0.243
Mycobacterium tuberculosis	Probable lipase LipE	0.0441	0.1235	0.1212
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0171	0.0241	0.1774
Brugia malayi	beta-lactamase family protein	0.0441	0.1235	1
Entamoeba histolytica	protein kinase, putative	0.0171	0.0241	0.243
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0171	0.0241	0.1953
Trichomonas vaginalis	cyclin B, putative	0.027	0.0605	0.2969
Trichomonas vaginalis	cyclins, putative	0.027	0.0605	0.2969

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 69 nM	Effect on human Glucocorticoid receptor (GR) in a whole cell assay to measure functional cellular GR-antagonism (GRAF)	ChEMBL.	15080982
IC50 (functional)	= 69 nM	Effect on human Glucocorticoid receptor (GR) in a whole cell assay to measure functional cellular GR-antagonism (GRAF)	ChEMBL.	15080982
IC50 (binding)	= 117 nM	Displacement of [3H]-dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 106-131 nM	ChEMBL.	15080982
IC50 (binding)	= 117 nM	Displacement of [3H]-dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 106-131 nM	ChEMBL.	15080982

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: CHEMBL416869
PubChem: 10291237

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 105768