TDR Targets

Basic information

Technical information

TDR Targets ID: 1593773
Name: 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-di hydroindene-3,4'-piperidine]-2-ol
MW: 410.551 | Formula: C28H30N2O
H donors: 1 H acceptors: 1 LogP: 5.14 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CCn1c2ccc(cc2c2c1cccc2)CN1CCC2(CC1)C(O)Cc1c2cccc1
InChi: 1S/C28H30N2O/c1-2-30-25-10-6-4-8-22(25)23-17-20(11-12-26(23)30)19-29-15-13-28(14-16-29)24-9-5-3-7-21(24)18-27(28)31/h3-12,17,27,31H,2,13-16,18-19H2,1H3
InChiKey: SESRVNICJGOYGC-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

1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indane-1,4'-piperidine]-2-ol
1'-[(9-ethyl-3-carbazolyl)methyl]-2-spiro[indane-1,4'-piperidine]ol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	melanin-concentrating hormone receptor 2	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
Entamoeba histolytica	hypothetical protein	0.0035	0.019	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0065	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0.019	1
Echinococcus granulosus	protein C ets 2	0.001	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.006	0.0367	0.0854
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0127	0.0832	0.0832
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0622	0.4291	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0015	0.0049	0.0049
Schistosoma mansoni	cpg binding protein	0.0063	0.0387	0.0387
Trichomonas vaginalis	CMGC family protein kinase	0.0622	0.4291	1
Echinococcus granulosus	ETS domain containing protein Elk 1	0.001	0.0016	0.0016
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0335	0.2287	0.5011
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0015	0.0049	0.0049
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0106	0.0367
Echinococcus multilocularis	dnaJ subfamily B	0.0853	0.5905	0.5905
Schistosoma mansoni	hypothetical protein	0.0188	0.1259	0.1259
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0622	0.4291	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.019	0.019
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0065	0.5
Brugia malayi	Ets-domain containing protein	0.0071	0.0438	0.1021
Brugia malayi	MH2 domain containing protein	0.0116	0.0758	0.1767
Trichomonas vaginalis	CMGC family protein kinase	0.0622	0.4291	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.0758	0.1767
Echinococcus granulosus	ETS transcription factor Elf 5	0.001	0.0016	0.0016
Echinococcus multilocularis	ets variant gene 4	0.001	0.0016	0.0016
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0106	0.0247
Brugia malayi	Fli-1 protein	0.0215	0.1443	0.3363
Brugia malayi	CXXC zinc finger family protein	0.006	0.0363	0.0846
Echinococcus granulosus	dnaJ subfamily B	0.0853	0.5905	0.5905
Echinococcus granulosus	geminin	0.0188	0.1259	0.1259
Echinococcus granulosus	GA binding protein alpha chain	0.0071	0.0438	0.0438
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0065	0.0059
Entamoeba histolytica	hypothetical protein	0.0035	0.019	1
Schistosoma mansoni	polyomavirus enhancer activator 3 pea3	0.001	0.0016	0.0016
Echinococcus multilocularis	ewsr:fli fusion protein type	0.001	0.0016	0.0016
Trichomonas vaginalis	CMGC family protein kinase	0.0622	0.4291	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0106	0.0247
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.019	0.019
Schistosoma mansoni	hypothetical protein	0.001	0.0016	0.0016
Schistosoma mansoni	gabp alpha	0.0071	0.0438	0.0438
Trypanosoma brucei	protein kinase, putative	0.0622	0.4291	1
Mycobacterium ulcerans	hypothetical protein	0.0177	0.1178	1
Trichomonas vaginalis	CMGC family protein kinase	0.0622	0.4291	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0065	0.0152
Echinococcus multilocularis	cpg binding protein	0.0063	0.0387	0.0387
Schistosoma mansoni	microtubule-associated protein tau	0.144	1	1
Echinococcus multilocularis	ETS transcription factor Elf 2	0.001	0.0016	0.0016
Echinococcus granulosus	mitogen activated protein kinase 3	0.0622	0.4291	0.4291
Entamoeba histolytica	hypothetical protein	0.0035	0.019	1
Schistosoma mansoni	hypothetical protein	0.0035	0.019	0.019
Echinococcus multilocularis	mitogen activated protein kinase	0.0622	0.4291	0.4291
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0106	0.5
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0106	0.0367
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0015	0.0049	0.0049
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0106	0.0424
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0622	0.4291	1
Schistosoma mansoni	elf1	0.001	0.0016	0.0016
Loa Loa (eye worm)	histone methyltransferase	0.0019	0.0074	0.0173
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0622	0.4291	1
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.001	0.0016	0.0038
Brugia malayi	Ets-domain containing protein	0.001	0.0016	0.0038
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0065	0.5
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0159	0.1053	0.194
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0106	0.5
Echinococcus multilocularis	GA binding protein alpha chain	0.0071	0.0438	0.0438
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0622	0.4291	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0114	0.0737	0.1046
Loa Loa (eye worm)	DNA-binding protein D-ETS-3	0.001	0.0016	0.0038
Loa Loa (eye worm)	hypothetical protein	0.001	0.0016	0.0038
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0057	0.0346	0.0179
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0071	0.0438	0.1021
Loa Loa (eye worm)	hypothetical protein	0.001	0.0016	0.0038
Giardia lamblia	Kinase, CMGC MAPK	0.0622	0.4291	0.5
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0622	0.4291	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0622	0.4291	1
Schistosoma mansoni	hypothetical protein	0.0853	0.5905	0.5905
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0622	0.4291	1
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0622	0.4291	0.4291
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0335	0.2287	0.5011
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0019	0.0074	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0106	0.0247
Loa Loa (eye worm)	D-ets-2 protein	0.001	0.0016	0.0038
Loa Loa (eye worm)	fli-1 protein	0.0215	0.1443	0.3363
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0106	0.0247
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0005	0.0005
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0106	0.0367
Echinococcus multilocularis	ETS transcription factor Elf 1	0.001	0.0016	0.0016
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0015	0.0049	0.0049
Brugia malayi	Ets-domain containing protein	0.0071	0.0438	0.1021
Echinococcus granulosus	ETS transcription factor Elf 2	0.001	0.0016	0.0016
Schistosoma mansoni	hypothetical protein	0.0188	0.1259	0.1259
Schistosoma mansoni	ets	0.001	0.0016	0.0016
Echinococcus multilocularis	ETS transcription factor Elf 5	0.001	0.0016	0.0016
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0106	0.0247
Echinococcus multilocularis	ETS transcription factor Elf 2	0.001	0.0016	0.0016
Echinococcus multilocularis	ETS domain containing protein Elk 1	0.001	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0065	0.0152
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0106	0.0424
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0177	0.1178	1
Echinococcus multilocularis	microtubule associated protein 2	0.144	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0622	0.4291	0.4291
Leishmania major	mitochondrial DNA polymerase beta	0.0335	0.2287	0.5211
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0106	0.0367
Brugia malayi	transcription factor E74 isoform	0.001	0.0016	0.0038
Echinococcus multilocularis	geminin	0.0188	0.1259	0.1259
Echinococcus granulosus	ewsr:fli fusion protein type	0.001	0.0016	0.0016
Schistosoma mansoni	ets-related	0.001	0.0016	0.0016
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0159	0.1053	0.194
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.019	0.019
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0335	0.2287	0.5011
Echinococcus multilocularis	protein C ets 2	0.001	0.0016	0.0016
Schistosoma mansoni	cpg binding protein	0.0063	0.0387	0.0387
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0065	0.0152
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0106	0.0367
Echinococcus granulosus	mitogen activated protein kinase	0.0622	0.4291	0.4291
Brugia malayi	hypothetical protein	0.0035	0.019	0.0442
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0106	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0065	0.0152
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0106	0.0367
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0106	0.0367
Echinococcus granulosus	cpg binding protein	0.0063	0.0387	0.0387
Schistosoma mansoni	hypothetical protein	0.001	0.0016	0.0016
Schistosoma mansoni	cpg binding protein	0.006	0.0363	0.0363
Brugia malayi	DNA-binding protein D-ETS-3	0.001	0.0016	0.0038
Onchocerca volvulus		0.006	0.0363	1
Loa Loa (eye worm)	ets-domain-containing protein	0.001	0.0016	0.0038
Brugia malayi	F/Y-rich N-terminus family protein	0.0018	0.0072	0.0169
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0019	0.0074	0.0074
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0159	0.1053	0.2263
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0015	0.0049	0.0049
Schistosoma mansoni	ets-related	0.0215	0.1443	0.1443
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0622	0.4291	1
Echinococcus granulosus	ETS transcription factor Elf 2	0.001	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0065	0.0152
Loa Loa (eye worm)	CXXC zinc finger family protein	0.006	0.0363	0.0846
Echinococcus granulosus	ETS transcription factor Elf 1	0.001	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0106	0.0247
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.0758	0.1767
Brugia malayi	MAP kinase sur-1	0.0622	0.4291	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.03 uM	Antagonist activity at human MCHR2 receptor expressed in CHO cells assessed as inhibition of MCH-stimulated Ca2+ flux preincubated for 10 mins prior to MCH-stimulation by FLIPR assay	ChEMBL.	22123324

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: CHEMBL1934114

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 1593773