TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 299.752 | Formula: C17H14ClNO2
H donors: 1 H acceptors: 1 LogP: 3.92 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccc2c(c1)c(=O)cc(o2)c1ccc(cc1Cl)N
InChi: 1S/C17H14ClNO2/c1-2-10-3-6-16-13(7-10)15(20)9-17(21-16)12-5-4-11(19)8-14(12)18/h3-9H,2,19H2,1H3
InChiKey: IWJNXRNHGXBQCP-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

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
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.2953	0.2825
Schistosoma mansoni	hypothetical protein	0.0042	0.211	0.3109
Echinococcus granulosus	neurogenic locus notch protein	0.0024	0.0741	0.0741
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0014	0	0.5
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0032	0.1352	1
Brugia malayi	Cytochrome P450 family protein	0.0053	0.3012	0.3621
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0053	0.2953	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.283	0.3402
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0053	0.2953	0.6165
Loa Loa (eye worm)	hypothetical protein	0.0101	0.6666	0.8014
Loa Loa (eye worm)	abnormal epIthelia family member	0.0024	0.0741	0.089
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0014	0	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0053	0.3012	0.3621
Loa Loa (eye worm)	STE/STE7/MEK1 protein kinase	0.0076	0.4791	0.576
Schistosoma mansoni	hypothetical protein	0.0016	0.014	0.0207
Echinococcus granulosus	slit 2 protein	0.0024	0.0741	0.0741
Schistosoma mansoni	protein kinase	0.0076	0.4791	0.706
Echinococcus multilocularis	protein patched	0.0043	0.223	0.223
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0885	0.1064
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0014	0	0.5
Leishmania major	hypothetical protein, conserved	0.0026	0.0885	0.1847
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0053	0.2953	0.6165
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.014	0.014
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0053	0.2953	0.6165
Echinococcus multilocularis	pikachurin	0.0024	0.0741	0.0741
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.014	0.0169
Echinococcus multilocularis	mitogen activated protein kinase	0.0053	0.2953	0.2953
Echinococcus multilocularis	neurogenic locus notch protein	0.0024	0.0741	0.0741
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0014	0	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.014	0.0169
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0014	0	0.5
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0885	0.1847
Echinococcus granulosus	Niemann Pick C1 protein	0.0101	0.6666	0.6666
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0014	0	0.5
Trichomonas vaginalis	STE family protein kinase	0.0076	0.4791	1
Echinococcus multilocularis	GPCR, family 2	0.0016	0.014	0.014
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.283	0.3402
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0014	0	0.5
Trichomonas vaginalis	STE family protein kinase	0.0076	0.4791	1
Schistosoma mansoni	chondroitin sulfate proteoglycan-related	0.0024	0.0741	0.1091
Schistosoma mansoni	hypothetical protein	0.0042	0.211	0.3109
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.223	0.223
Echinococcus multilocularis	slit 2 protein	0.0024	0.0741	0.0741
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0014	0	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0014	0	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0885	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.283	0.3402
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0053	0.2953	0.6165
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0014	0	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.2953	0.2825
Brugia malayi	laminin alpha chain	0.0024	0.0741	0.089
Schistosoma mansoni	hypothetical protein	0.0035	0.1585	0.2336
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0885	0.5
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0741	0.089
Loa Loa (eye worm)	hypothetical protein	0.0051	0.283	0.3402
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0053	0.2953	0.6165
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.1352	0.1625
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0053	0.2953	0.3551
Echinococcus multilocularis	expressed conserved protein	0.0095	0.6194	0.6194
Schistosoma mansoni	cell polarity protein	0.0024	0.0741	0.1091
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0014	0	0.5
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.223	0.223
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.1585	0.1905
Trypanosoma cruzi	cytochrome P450, putative	0.0032	0.1352	0.2822
Loa Loa (eye worm)	hypothetical protein	0.0053	0.298	0.3583
Trichomonas vaginalis	STE family protein kinase	0.0076	0.4791	1
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0014	0	0.5
Loa Loa (eye worm)	CYP4Cod1	0.0032	0.1352	0.1625
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.2953	0.2825
Trypanosoma cruzi	cytochrome P450, putative	0.0032	0.1352	0.2822
Trypanosoma brucei	cytochrome P450, putative	0.0032	0.1352	0.2822
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.8318	1
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0101	0.6666	0.5
Echinococcus multilocularis	dual specificity mitogen activated protein	0.0076	0.4791	0.4791
Mycobacterium leprae	Conserved hypothetical protein	0.0014	0	0.5
Echinococcus granulosus	pikachurin	0.0024	0.0741	0.0741
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0014	0	0.5
Schistosoma mansoni	slit	0.0024	0.0741	0.1091
Brugia malayi	MH2 domain containing protein	0.0122	0.8318	1
Schistosoma mansoni	hypothetical protein	0.0042	0.211	0.3109
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0741	0.089
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0247	0.0297
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0885	0.2996
Trypanosoma brucei	mitogen-activated protein kinase kinase 5	0.0076	0.4791	1
Trypanosoma brucei	protein kinase, putative	0.0053	0.2953	0.6165
Brugia malayi	hypothetical protein	0.0017	0.018	0.0216
Echinococcus granulosus	expressed conserved protein	0.0095	0.6194	0.6194
Brugia malayi	MAP kinase sur-1	0.0053	0.2953	0.3551
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.2953	0.2825
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.223	0.2681
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0014	0	0.5
Brugia malayi	CHE-14 protein	0.0043	0.223	0.2681
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0014	0	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.014	0.014
Echinococcus granulosus	dual specificity mitogen activated protein	0.0076	0.4791	0.4791
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0053	0.2953	0.6165
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0741	0.089
Brugia malayi	Dual specificity mitogen-activated protein kinase kinase mek-2	0.0076	0.4791	0.576
Brugia malayi	Niemann-Pick C1 protein precursor	0.0101	0.6666	0.8014
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0014	0	0.5
Schistosoma mansoni	hypothetical protein	0.0042	0.211	0.3109
Brugia malayi	hypothetical protein	0.0026	0.0885	0.1064
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0014	0	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0014	0	0.5
Schistosoma mansoni	hypothetical protein	0.0016	0.014	0.0207
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.8318	1
Schistosoma mansoni	patched 1	0.0043	0.223	0.3286
Schistosoma mansoni	laminin gamma-3 chain	0.0024	0.0741	0.1091
Brugia malayi	laminin-like protein K08C7.3 precursor	0.0024	0.0741	0.089
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.014	0.0169
Echinococcus multilocularis	Niemann Pick C1 protein	0.0144	1	1
Brugia malayi	EGF-like domain containing protein	0.0024	0.0741	0.089
Echinococcus granulosus	mitogen activated protein kinase 3	0.0053	0.2953	0.2953
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0014	0	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0885	0.1847
Echinococcus granulosus	mitogen activated protein kinase	0.0053	0.2953	0.2953
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.223	0.223
Trypanosoma cruzi	mitogen-activated protein kinase kinase 5	0.0076	0.4791	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0885	0.1847
Echinococcus multilocularis	protein dispatched 1	0.0049	0.2701	0.2701
Echinococcus granulosus	GPCR family 2	0.0016	0.014	0.014
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0053	0.2953	0.2953
Schistosoma mansoni	hypothetical protein	0.0016	0.014	0.0207
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0102	0.6786	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.014	0.014
Echinococcus multilocularis	Niemann Pick C1 protein	0.0101	0.6666	0.6666
Leishmania major	mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860	0.0076	0.4791	1
Brugia malayi	Cytochrome P450 family protein	0.0032	0.1352	0.1625
Brugia malayi	Thrombospondin N-terminal -like domain containing protein	0.0024	0.0741	0.089
Brugia malayi	Cytochrome P450 family protein	0.0032	0.1352	0.1625
Schistosoma mansoni	hypothetical protein	0.0016	0.014	0.0207
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.2953	0.4352
Mycobacterium leprae	putative cytochrome p450	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1585	0.1905
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0053	0.2953	0.6165
Loa Loa (eye worm)	hypothetical protein	0.0016	0.014	0.0169
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.1352	0.1625
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0885	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.014	0.014
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0014	0	0.5
Leishmania major	cytochrome p450-like protein	0.0032	0.1352	0.2822
Loa Loa (eye worm)	hypothetical protein	0.0043	0.223	0.2681
Giardia lamblia	Kinase, STE STE20	0.0076	0.4791	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)		Inhibition of ERK1 (unknown origin) at 50 uM	ChEMBL.	23260578
Inhibition (binding)		Inhibition of ERK2 (unknown origin) at 50 uM	ChEMBL.	23260578
Inhibition (binding)		Inhibition of JNK1 (unknown origin) at 50 uM	ChEMBL.	23260578
Inhibition (binding)	= 14.47 %	Inhibition of p38-alpha (unknown origin) at 100 uM	ChEMBL.	23260578
Inhibition (binding)	= 27.04 %	Inhibition of Raf1 (unknown origin) at 50 uM	ChEMBL.	23260578

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: CHEMBL2334408

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 1730943