TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 268.354 | Formula: C17H20N2O
H donors: 0 H acceptors: 0 LogP: 2.91 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: COn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)C
InChi: 1S/C17H20N2O/c1-11-7-14-13-5-4-6-15-17(13)12(10-19(15)20-3)8-16(14)18(2)9-11/h4-7,10,14,16H,8-9H2,1-3H3/t14-,16+/m0/s1
InChiKey: OZXRMPYHEDZXHW-GOEBONIOSA-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	LCK proto-oncogene, Src family tyrosine kinase	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
Toxoplasma gondii	acyltransferase domain-containing protein	0.0209	1	1
Schistosoma mansoni	tyrosine kinase	0.001	0.0223	0.0223
Trypanosoma cruzi	1-acyl-sn-glycerol-3-phosphate acyltransferase, putative	0.0209	1	1
Loa Loa (eye worm)	hypothetical protein	0.0209	1	1
Giardia lamblia	Hypothetical protein	0.0009	0.0142	0.5
Echinococcus granulosus	lysocardiolipin acyltransferase 1	0.0009	0.0142	0.0136
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.001	0.0223	0.0218
Entamoeba histolytica	1-acyl-glycerol-3-phosphate acyltransferase, putative	0.0009	0.0142	1
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.001	0.0223	0.0218
Schistosoma mansoni	tyrosine kinase	0.0006	0.0006	0.0006
Echinococcus multilocularis	NCK adaptor protein	0.0009	0.0161	0.0155
Echinococcus multilocularis	lysocardiolipin acyltransferase 1	0.0009	0.0142	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0201	0.9578	0.9577
Chlamydia trachomatis	glycerol-3-phosphate acyltransferase	0.0209	1	1
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0009	0.0161	0.0155
Schistosoma mansoni	nck2/grb4	0.0009	0.0161	0.0161
Brugia malayi	Acyltransferase family protein	0.0009	0.0142	0.0136
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.001	0.0223	0.0218
Entamoeba histolytica	acyl-CoA:1-acylglycerol-3-phosphate acyltransferase, putative	0.0009	0.0142	1
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.001	0.0223	0.0218
Mycobacterium leprae	POSSIBLE TRANSMEMBRANE PHOSPHOLIPID BIOSYNTHESIS BIFUNCTIONAL ENZYME PLSC: PUTATIVE L-3-PHOSPHOSERINE PHOSPHATASE (O-PHOSPHOSERI	0.0209	1	1
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.001	0.0223	0.0218
Brugia malayi	Acyltransferase family protein	0.0009	0.0142	0.0136
Echinococcus multilocularis	homeobox	0.0201	0.9578	0.9577
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0142	0.5
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.001	0.0223	0.0218
Echinococcus granulosus	1 acyl sn glycerol 3 phosphate acyltransferase	0.0209	1	1
Echinococcus multilocularis	tyrosine protein kinase Abl	0.001	0.0223	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0161	0.0155
Plasmodium vivax	1-acyl-sn-glycerol-3-phosphate acyltransferase, putative	0.0209	1	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0142	0.0136
Echinococcus granulosus	growth factor receptor bound protein 2	0.0009	0.0161	0.0155
Echinococcus multilocularis	Phospholipid glycerol acyltransferase	0.0209	1	1
Schistosoma mansoni	acyl-CoA:glycerol-3-phosphate acyltransferase	0.0009	0.0142	0.0142
Giardia lamblia	Hypothetical protein	0.0009	0.0142	0.5
Brugia malayi	Variant SH3 domain containing protein	0.0009	0.0161	0.0155
Schistosoma mansoni	growth factor receptor-bound protein	0.0009	0.0161	0.0161
Echinococcus multilocularis	glycerol 3 phosphate acyltransferase 3	0.0009	0.0142	0.0136
Onchocerca volvulus		0.0009	0.0142	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.001	0.0223	0.0218
Echinococcus granulosus	tyrosine protein kinase Fyn	0.001	0.0223	0.0218
Trichomonas vaginalis	1-acyl-sn-glycerol-3-phosphate acyltransferase eta, putative	0.0009	0.0142	0.5
Brugia malayi	Acyltransferase family protein	0.0009	0.0142	0.0136
Brugia malayi	Variant SH3 domain containing protein	0.0009	0.0161	0.0155
Schistosoma mansoni	transcription factor	0.0201	0.9578	0.9578
Echinococcus granulosus	c src tyrosine kinase	0.001	0.0223	0.0218
Schistosoma mansoni	growth factor receptor-bound protein	0.0009	0.0161	0.0161
Echinococcus granulosus	1 acyl sn glycerol 3 phosphate acyltransferase	0.0009	0.0142	0.0136
Echinococcus multilocularis	tafazzin	0.0009	0.0142	0.0136
Onchocerca volvulus	Transmembrane protein 68 homolog	0.0009	0.0142	1
Echinococcus granulosus	Phospholipid glycerol acyltransferase	0.0209	1	1
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.001	0.0223	0.0218
Schistosoma mansoni	tyrosine kinase	0.001	0.0223	0.0223
Echinococcus multilocularis	1 acyl sn glycerol 3 phosphate acyltransferase	0.0009	0.0142	0.0136
Giardia lamblia	Hypothetical protein	0.0009	0.0142	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0142	0.5
Echinococcus granulosus	tyrosine protein kinase Src64B	0.001	0.0223	0.0218
Mycobacterium ulcerans	1-acylglycerol-3-phosphate O-acyltransferase	0.0209	1	1
Schistosoma mansoni	tyrosine kinase	0.001	0.0223	0.0223
Loa Loa (eye worm)	acyltransferase	0.0009	0.0142	0.0136
Leishmania major	1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative	0.0209	1	1
Brugia malayi	Acyltransferase family protein	0.0009	0.0142	0.0136
Schistosoma mansoni	1-acylglycerol-3-phosphate acyltransferase	0.0009	0.0142	0.0142
Schistosoma mansoni	taz protein (tafazzin)	0.0009	0.0142	0.0142
Echinococcus granulosus	tyrosine protein kinase Lyn	0.001	0.0223	0.0218
Brugia malayi	RIKEN cDNA 2010300G19	0.0009	0.0142	0.0136
Echinococcus granulosus	tafazzin	0.0009	0.0142	0.0136
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0009	0.0161	0.0155
Loa Loa (eye worm)	ACL-8 protein	0.0009	0.0142	0.0136
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0009	0.0161	0.0155
Schistosoma mansoni	tyrosine kinase	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0209	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0142	0.5
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0009	0.0161	0.0161
Plasmodium falciparum	1-acyl-sn-glycerol-3-phosphate acyltransferase, putative	0.0209	1	1
Wolbachia endosymbiont of Brugia malayi	1-acyl-sn-glycerol-3-phosphate acyltransferase	0.0209	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0142	0.0136
Trichomonas vaginalis	1-acyl-sn-glycerol-3-phosphate acyltransferase eta, putative	0.0009	0.0142	0.5
Echinococcus multilocularis	c src tyrosine kinase	0.001	0.0223	0.0218
Schistosoma mansoni	acetyltransferase-related	0.0009	0.0142	0.0142
Loa Loa (eye worm)	acyltransferase	0.0009	0.0142	0.0136
Giardia lamblia	Hypothetical protein	0.0009	0.0142	0.5
Trypanosoma brucei	1-acyl-sn-glycerol-3-phosphate acyltransferase, putative	0.0209	1	1
Mycobacterium ulcerans	bifunctional transmembrane phospholipid biosynthesis enzyme PlsC	0.0209	1	1
Treponema pallidum	lysophosphatidic acid acyltransferase	0.0209	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.001	0.0223	0.0218
Echinococcus granulosus	acetyltransferase	0.0009	0.0142	0.0136
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.001	0.0223	0.0218
Schistosoma mansoni	acetyltransferase-related	0.0009	0.0142	0.0142
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.001	0.0223	0.0218
Loa Loa (eye worm)	acyltransferase	0.0209	1	1
Loa Loa (eye worm)	acyltransferase	0.0009	0.0142	0.0136
Brugia malayi	Acyltransferase-like protein 4	0.0009	0.0142	0.0136
Echinococcus multilocularis	1 acyl sn glycerol 3 phosphate acyltransferase	0.0209	1	1
Schistosoma mansoni	tyrosine kinase	0.001	0.0223	0.0223
Trichomonas vaginalis	1-acylglycerophosphocholine O-acyltransferase, putative	0.0009	0.0142	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.001	0.0223	0.0218
Echinococcus granulosus	NCK adaptor protein	0.0009	0.0161	0.0155
Loa Loa (eye worm)	ACL-5 protein	0.0009	0.0142	0.0136
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.001	0.0223	0.0218
Mycobacterium tuberculosis	Possible transmembrane phospholipid biosynthesis bifunctional enzyme PlsC: putative L-3-phosphoserine phosphatase (O-phosphoseri	0.0201	0.9578	0.9572
Echinococcus granulosus	Msx-like	0.0201	0.9578	0.9577
Echinococcus multilocularis	1 acyl sn glycerol 3 phosphate acyltransferase	0.0209	1	1
Brugia malayi	Sex muscle abnormal protein 5	0.0009	0.0161	0.0155
Brugia malayi	Acyltransferase family protein	0.0009	0.0142	0.0136
Loa Loa (eye worm)	SRC-1	0.001	0.0223	0.0218
Echinococcus granulosus	tyrosine protein kinase Fyn	0.001	0.0223	0.0218
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.001	0.0223	0.0223
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0142	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0142	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0142	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0142	0.0136
Echinococcus granulosus	tyrosine protein kinase Src42A	0.001	0.0223	0.0218
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0142	0.5
Schistosoma mansoni	1-acyl-sn-glycerol-3-phosphate acyltransferase epsilon	0.0009	0.0142	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0142	0.0136
Mycobacterium tuberculosis	1-acylglycerol-3-phosphate O-acyltransferase	0.0209	1	1
Loa Loa (eye worm)	acyltransferase	0.0009	0.0142	0.0136
Brugia malayi	SRC-1	0.001	0.0223	0.0218
Echinococcus granulosus	1 acyl sn glycerol 3 phosphate acyltransferase	0.0209	1	1
Schistosoma mansoni	adapter molecule crk	0.0009	0.0161	0.0161
Echinococcus multilocularis	acetyltransferase	0.0009	0.0142	0.0136
Toxoplasma gondii	acyltransferase domain-containing protein	0.0209	1	1
Giardia lamblia	Lysophosphatidic acid acyltransferase, putative	0.0009	0.0142	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.001	0.0223	0.0218
Schistosoma mansoni	1-acyl-sn-glycerol-3-phosphate o-acyltransferase	0.0209	1	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0142	0.0136
Brugia malayi	Tyrosine-protein kinase abl-1	0.001	0.0223	0.0218

Activities

Activity type	Activity value	Assay description	Source	Reference
Cytotoxicity (functional)	0 %	Cytotoxic effect on M109 mouse lung carcinoma cells at 40 uM (No effect)	ChEMBL.	9871562
IC50 (binding)	= 8.5 uM	Inhibition of p56 lck autophosphorylation, gamma-[33P]-ATP incorporation	ChEMBL.	9871562
IC50 (binding)	= 8.5 uM	Inhibition of p56 lck autophosphorylation, gamma-[33P]-ATP incorporation	ChEMBL.	9871562
IC50 (binding)	= 285 uM	Inhibition of p72 syk autophosphorylation	ChEMBL.	9871562
IC50 (binding)	= 285 uM	Inhibition of p72 syk autophosphorylation	ChEMBL.	9871562
Inhibition (binding)	%	Inhibition of [Ca2+]/Calmodulin-dependent Type II protein kinase at 10 microM	ChEMBL.	9871562
Inhibition (binding)	%	Inhibition of Protein kinase C alpha at 10 microM Histone H1 substrate	ChEMBL.	9871562
Inhibition (binding)	%	Inhibition of Protein Kinase C gamma at 10 uM Histone H1 substrate	ChEMBL.	9871562
Inhibition (binding)	%	Inhibition of p74 Blk tyrosine kinase autophosphorylation (Inactive)	ChEMBL.	9871562
Inhibition (binding)	%	Inhibition of Protein Kinase C beta at 10 uM Histone H1 substrate (Inactive)	ChEMBL.	9871562
Inhibition (binding)	0 %	Inhibition of p74 Blk tyrosine kinase autophosphorylation (Inactive)	ChEMBL.	9871562
Inhibition (binding)	0 %	Inhibition of [Ca2+]/Calmodulin-dependent Type II protein kinase at 10 microM	ChEMBL.	9871562
Inhibition (binding)	0 %	Inhibition of cAMP-dependent protein kinase at 10 uM Histone H1 substrate	ChEMBL.	9871562
Inhibition (binding)	0 %	Inhibition of Protein kinase C alpha at 10 microM Histone H1 substrate	ChEMBL.	9871562
Inhibition (binding)	0 %	Inhibition of Protein Kinase C beta at 10 uM Histone H1 substrate (Inactive)	ChEMBL.	9871562
Inhibition (binding)	0 %	Inhibition of Protein Kinase C gamma at 10 uM Histone H1 substrate	ChEMBL.	9871562
Inhibition (binding)	= 9 %	Inhibition of Her2, ErbB2 receptor tyrosine kinase at 10 uM	ChEMBL.	9871562
Inhibition (binding)	= 9 %	Inhibition of Her2, ErbB2 receptor tyrosine kinase at 10 uM	ChEMBL.	9871562
Inhibition (binding)	= 14 %	Inhibition of Epidermal growth factor receptor at 10 uM	ChEMBL.	9871562
Inhibition (binding)	= 14 %	Inhibition of Epidermal growth factor receptor at 10 uM	ChEMBL.	9871562
Inhibition (binding)	= 19 %	Inhibition of Fyn protein kinase at 10 uM	ChEMBL.	9871562
Inhibition (binding)	= 19 %	Inhibition of Fyn protein kinase at 10 uM	ChEMBL.	9871562
Inhibition (binding)	= 42 %	Inhibition of Lck protein kinase at 10 uM	ChEMBL.	9871562
Inhibition (binding)	= 42 %	Inhibition of Lck protein kinase at 10 uM	ChEMBL.	9871562

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: CHEMBL435240
PubChem: 10084407

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 265074