TDR Targets

Basic information

Technical information

TDR Targets ID: 1647502
Name: methyl 1-(benzoylamino)-7a-hydroxy-2,3a-dimet hyl-4-oxo-6,7-dihydro-5H-indole-3-carboxylate
MW: 358.388 | Formula: C19H22N2O5
H donors: 2 H acceptors: 4 LogP: 1.63 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C1=C(C)N(C2(C1(C)C(=O)CCC2)O)NC(=O)c1ccccc1
InChi: 1S/C19H22N2O5/c1-12-15(17(24)26-3)18(2)14(22)10-7-11-19(18,25)21(12)20-16(23)13-8-5-4-6-9-13/h4-6,8-9,25H,7,10-11H2,1-3H3,(H,20,23)
InChiKey: OYOIYPBQLFGPDI-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

7a-hydroxy-2,3a-dimethyl-4-oxo-1-[(oxo-phenylmethyl)amino]-6,7-dihydro-5H-indole-3-carboxylic acid methyl ester
1-(benzoylamino)-7a-hydroxy-4-keto-2,3a-dimethyl-6,7-dihydro-5H-indole-3-carboxylic acid methyl ester
methyl 7a-hydroxy-2,3a-dimethyl-4-oxo-1-(phenylcarbonylamino)-6,7-dihydro-5H-indole-3-carboxylate
NSC630973
NCI60_010104

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0211	0.1443	0.8342
Loa Loa (eye worm)	hypothetical protein	0.0194	0.1305	0.3017
Mycobacterium tuberculosis	Probable dehydrogenase	0.0211	0.1443	0.8342
Loa Loa (eye worm)	thioredoxin reductase	0.0093	0.0475	0.1098
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0005	0.0005
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0005	0.0012
Plasmodium vivax	thioredoxin reductase, putative	0.0093	0.0475	0.5
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0183	0.1213	0.3938
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0412	0.3081	0.7124
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0412	0.3081	0.3081
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0412	0.3081	0.3081
Trypanosoma cruzi	trypanothione reductase, putative	0.0093	0.0475	0.5
Echinococcus granulosus	FTZ F1 alpha	0.0412	0.3081	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0412	0.3081	0.3081
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0412	0.3081	0.5213
Trypanosoma brucei	trypanothione reductase	0.0093	0.0475	0.5
Loa Loa (eye worm)	hypothetical protein	0.0194	0.1305	0.3017
Brugia malayi	hypothetical protein	0.0035	0.0005	0.0009
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0412	0.3081	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0183	0.1213	0.2652
Loa Loa (eye worm)	hypothetical protein	0.0412	0.3081	0.7124
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0412	0.3081	0.7124
Brugia malayi	hypothetical protein	0.0194	0.1305	0.2208
Loa Loa (eye worm)	hypothetical protein	0.0217	0.1495	0.3457
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0412	0.3081	0.5213
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0564	0.4325	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0412	0.3081	0.6734
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0005	0.0018
Brugia malayi	jmjC domain containing protein	0.0093	0.0479	0.081
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0264	0.061
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0412	0.3081	1
Schistosoma mansoni	hypothetical protein	0.0067	0.0264	0.0264
Toxoplasma gondii	thioredoxin reductase	0.0093	0.0475	0.5
Loa Loa (eye worm)	hypothetical protein	0.0412	0.3081	0.7124
Loa Loa (eye worm)	hypothetical protein	0.0194	0.1305	0.3017
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0211	0.1443	0.8342
Schistosoma mansoni	thyroid hormone receptor	0.0595	0.4575	0.4575
Brugia malayi	hypothetical protein	0.0194	0.1305	0.2208
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0093	0.0479	0.1047
Brugia malayi	photoreceptor-specific nuclear receptor	0.0412	0.3081	0.5213
Loa Loa (eye worm)	glutathione reductase	0.0093	0.0475	0.1098
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0412	0.3081	0.5213
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.0516	0.1193
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.0264	0.0446
Loa Loa (eye worm)	hypothetical protein	0.0194	0.1305	0.3017
Loa Loa (eye worm)	hypothetical protein	0.0412	0.3081	0.7124
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0412	0.3081	1
Schistosoma mansoni	nuclear hormone receptor	0.0194	0.1305	0.1305
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0093	0.0475	0.1038
Onchocerca volvulus		0.0412	0.3081	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0564	0.4325	0.7317
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0412	0.3081	0.6734
Schistosoma mansoni	coup transcription factor	0.0412	0.3081	0.3081
Loa Loa (eye worm)	hypothetical protein	0.0217	0.1495	0.3457
Loa Loa (eye worm)	hypothetical protein	0.0217	0.1495	0.3457
Loa Loa (eye worm)	hypothetical protein	0.0217	0.1495	0.3457
Brugia malayi	nuclear hormone receptor	0.0412	0.3081	0.5213
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0412	0.3081	0.5213
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0194	0.1305	0.4236
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0194	0.1305	0.2852
Schistosoma mansoni	nuclear receptor nhr-48	0.0194	0.1305	0.1305
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0194	0.1305	0.4236
Brugia malayi	conserved hypotetical protein	0.0194	0.1305	0.2208
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0412	0.3081	0.3081
Loa Loa (eye worm)	DR-78	0.0194	0.1305	0.3017
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0194	0.1305	0.4236
Echinococcus granulosus	thioredoxin glutathione reductase	0.0093	0.0475	0.1541
Loa Loa (eye worm)	hypothetical protein	0.0194	0.1305	0.3017
Brugia malayi	nuclear hormone receptor	0.0194	0.1305	0.2208
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0194	0.1305	0.2208
Schistosoma mansoni	nuclear hormone receptor	0.0194	0.1305	0.1305
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0412	0.3081	0.5213
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0412	0.3081	0.5213
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0412	0.3081	0.5213
Loa Loa (eye worm)	hypothetical protein	0.0217	0.1495	0.3457
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0412	0.3081	0.5213
Schistosoma mansoni	retinoic acid receptor RXR	0.0412	0.3081	0.3081
Entamoeba histolytica	hypothetical protein	0.0035	0.0005	0.5
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0198	0.0458
Loa Loa (eye worm)	hypothetical protein	0.0194	0.1305	0.3017
Echinococcus multilocularis	nuclear receptor nhr 48	0.0194	0.1305	0.2852
Plasmodium falciparum	glutathione reductase	0.0093	0.0475	0.5
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0412	0.3081	0.6734
Brugia malayi	nuclear receptor RXR	0.0194	0.1305	0.2208
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0194	0.1305	0.2852
Entamoeba histolytica	hypothetical protein	0.0035	0.0005	0.5
Loa Loa (eye worm)	hypothetical protein	0.0412	0.3081	0.7124
Brugia malayi	orphan nuclear receptor NR2E1	0.0194	0.1305	0.2208
Loa Loa (eye worm)	hypothetical protein	0.0194	0.1305	0.3017
Brugia malayi	Nuclear hormone receptor E75	0.0194	0.1305	0.2208
Brugia malayi	nuclear hormone receptor family member odr-7	0.0194	0.1305	0.2208
Loa Loa (eye worm)	hypothetical protein	0.0194	0.1305	0.3017
Brugia malayi	Nuclear hormone receptor-like 1	0.0758	0.591	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0412	0.3081	0.6734
Brugia malayi	Steroid receptor seven-up type 2	0.0412	0.3081	0.5213
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0117	0.027
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0412	0.3081	0.6734
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0516	0.1193
Loa Loa (eye worm)	hypothetical protein	0.0412	0.3081	0.7124
Schistosoma mansoni	nuclear receptor	0.0194	0.1305	0.1305
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0194	0.1305	0.3017
Loa Loa (eye worm)	hypothetical protein	0.0194	0.1305	0.3017
Schistosoma mansoni	nuclear hormone receptor	0.0412	0.3081	0.3081
Echinococcus granulosus	thyroid hormone receptor alpha	0.0194	0.1305	0.4236
Schistosoma mansoni	hypothetical protein	0.0035	0.0005	0.0005
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0412	0.3081	0.5213
Brugia malayi	tailless protein	0.0194	0.1305	0.2208
Loa Loa (eye worm)	hypothetical protein	0.0412	0.3081	0.7124
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0194	0.1305	0.2208
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0194	0.1305	0.2852
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0412	0.3081	1
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0042	0.0092
Leishmania major	trypanothione reductase	0.0093	0.0475	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0412	0.3081	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0235	0.1635	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0217	0.1495	0.1495
Onchocerca volvulus	Bile acid receptor homolog	0.0412	0.3081	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0564	0.4325	0.7317
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0412	0.3081	0.3081
Schistosoma mansoni	thyroid hormone receptor	0.0595	0.4575	0.4575
Brugia malayi	steroid hormone receptor	0.0412	0.3081	0.5213
Plasmodium falciparum	thioredoxin reductase	0.0093	0.0475	0.5
Schistosoma mansoni	hypothetical protein	0.0183	0.1213	0.1213
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0217	0.1495	0.1495
Loa Loa (eye worm)	hypothetical protein	0.0412	0.3081	0.7124
Loa Loa (eye worm)	hypothetical protein	0.0194	0.1305	0.3017
Loa Loa (eye worm)	hypothetical protein	0.0194	0.1305	0.3017
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0217	0.1495	0.4853
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0412	0.3081	0.3081
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.0516	0.0873
Schistosoma mansoni	nuclear receptor	0.0194	0.1305	0.1305
Echinococcus granulosus	ecdysone induced protein 78C	0.0412	0.3081	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0412	0.3081	0.5213
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0412	0.3081	0.5213
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0412	0.3081	0.6734
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0412	0.3081	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0412	0.3081	0.5213
Entamoeba histolytica	hypothetical protein	0.0035	0.0005	0.5
Plasmodium vivax	glutathione reductase, putative	0.0093	0.0475	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.0412	0.3081	0.3081
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0412	0.3081	0.3081
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0412	0.3081	0.7124
Brugia malayi	MH2 domain containing protein	0.0117	0.0677	0.1146
Brugia malayi	Nuclear hormone receptor E75	0.0194	0.1305	0.2208
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0412	0.3081	0.7124
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0412	0.3081	0.7124
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.0677	0.1566
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0194	0.1305	0.1305
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.0516	0.0873
Loa Loa (eye worm)	hypothetical protein	0.0541	0.4134	0.956
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0211	0.1443	0.8342
Loa Loa (eye worm)	steroid hormone receptor	0.0412	0.3081	0.7124
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0042	0.0136
Entamoeba histolytica	hypothetical protein	0.0035	0.0005	0.5
Loa Loa (eye worm)	hypothetical protein	0.0194	0.1305	0.3017
Brugia malayi	ecdysteroid receptor	0.0412	0.3081	0.5213
Loa Loa (eye worm)	hypothetical protein	0.0412	0.3081	0.7124
Mycobacterium tuberculosis	Probable oxidoreductase	0.0235	0.1635	1
Brugia malayi	nuclear receptor RXR	0.0217	0.1495	0.253
Brugia malayi	nuclear receptor NHR-88	0.0194	0.1305	0.2208
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0412	0.3081	0.5213
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0412	0.3081	1
Mycobacterium tuberculosis	Probable reductase	0.0211	0.1443	0.8342
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0217	0.1495	0.3268
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0595	0.4575	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0412	0.3081	0.7124
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0412	0.3081	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0235	0.1635	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0194	0.1305	0.4236
Brugia malayi	ecdysone receptor	0.0194	0.1305	0.2208
Echinococcus multilocularis	FTZ F1 alpha	0.0412	0.3081	0.6734
Echinococcus multilocularis	ecdysone induced protein 78C	0.0412	0.3081	0.6734
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0211	0.1443	0.8342
Brugia malayi	hypothetical protein	0.0217	0.1495	0.253
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0194	0.1305	0.4236
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.0677	0.1566
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0093	0.0479	0.1555
Onchocerca volvulus	Protein ultraspiracle homolog	0.0412	0.3081	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0412	0.3081	0.7124
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0194	0.1305	0.2852
Schistosoma mansoni	jumonji domain containing protein	0.0074	0.0323	0.0323
Loa Loa (eye worm)	nuclear hormone receptor	0.0194	0.1305	0.3017
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0194	0.1305	0.3017
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0235	0.1635	1
Brugia malayi	nuclear receptor NHR-67	0.0194	0.1305	0.2208
Schistosoma mansoni	zinc finger protein	0.0194	0.1305	0.1305
Brugia malayi	Thioredoxin reductase	0.0093	0.0475	0.0803
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0194	0.1305	0.2852
Brugia malayi	glutathione reductase	0.0093	0.0475	0.0803
Brugia malayi	hypothetical protein	0.0217	0.1495	0.253
Brugia malayi	nuclear receptor NHR-88	0.0412	0.3081	0.5213

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL2001768

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1647502