TDR Targets

Basic information

Technical information

TDR Targets ID: 1607455
Name: dimethyl 4-(9-ethylcarbazol-2-yl)-2,6-dimethy l-1,4-dihydropyridine-3,5-dicarboxylate
MW: 418.485 | Formula: C25H26N2O4
H donors: 1 H acceptors: 2 LogP: 4.27 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C1=C(C)NC(=C(C1c1ccc2c(c1)n(CC)c1c2cccc1)C(=O)OC)C
InChi: 1S/C25H26N2O4/c1-6-27-19-10-8-7-9-17(19)18-12-11-16(13-20(18)27)23-21(24(28)30-4)14(2)26-15(3)22(23)25(29)31-5/h7-13,23,26H,6H2,1-5H3
InChiKey: ZXZAPORIQZKHCR-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

4-(9-ethyl-2-carbazolyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
4-(9-ethylcarbazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
AIDS141792
Dimethyl 4-(9-ethyl-9H-carbazol-2-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
NSC658164
NCI60_020323
AIDS-141792

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	STE family protein kinase	0.1682	0.9201	0.9201
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Trypanosoma brucei	protein kinase, putative	0.0074	0.0135	0.0135
Entamoeba histolytica	PH domain containing protein kinase, putative	0.1233	0.6668	0.6668
Giardia lamblia	Kinase, AGC PKA	0.1183	0.6387	0.6882
Trichomonas vaginalis	ribosomal protein S6 kinase, 90kD, polypeptide, putative	0.0074	0.0135	0.0135
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0081	0.0177	0.0192
Trichomonas vaginalis	CMGC family protein kinase	0.0081	0.0177	0.0177
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.1183	0.6387	0.6942
Trypanosoma cruzi	mitogen-activated protein kinase kinase 5	0.1682	0.9201	1
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0081	0.0177	0.0192
Trichomonas vaginalis	AGC family protein kinase	0.1824	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0081	0.0177	0.0177
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0074	0.0135	0.0147
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0081	0.0177	0.0177
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Echinococcus multilocularis	Glutaredoxin protein 5	0.1159	0.6253	0.6795
Trichomonas vaginalis	CMGC family protein kinase	0.0081	0.0177	0.0177
Brugia malayi	Pleckstrin Homology Domain	0.0058	0.0048	0.0048
Schistosoma mansoni	serine/threonine-protein kinase	0.1233	0.6668	0.7247
Entamoeba histolytica	protein kinase, putative	0.0074	0.0135	0.0135
Brugia malayi	MAP kinase sur-1	0.0081	0.0177	0.0177
Leishmania major	mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860	0.1682	0.9201	1
Echinococcus multilocularis	myotubularin protein 13	0.0058	0.0048	0.0052
Loa Loa (eye worm)	raf kinase	0.0244	0.1096	0.1096
Entamoeba histolytica	hypothetical protein	0.0074	0.0135	0.0135
Trichomonas vaginalis	AGC family protein kinase	0.0615	0.3187	0.3187
Schistosoma mansoni	serine/threonine protein kinase	0.0615	0.3187	0.3464
Echinococcus multilocularis	protein kinase c epsilon type	0.0624	0.3235	0.3516
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0615	0.3187	0.3464
Brugia malayi	protein kinase C II.	0.0624	0.3235	0.3235
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0074	0.0135	0.0147
Trypanosoma cruzi	serine/threonine-protein kinase NRKB, putative	0.0074	0.0135	0.0147
Plasmodium falciparum	calcium-dependent protein kinase 7	0.0074	0.0135	0.0211
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0081	0.0177	0.0192
Entamoeba histolytica	hypothetical protein	0.0074	0.0135	0.0135
Trypanosoma brucei	Serine/threonine-protein kinase NEK21, putative	0.0074	0.0135	0.0135
Echinococcus granulosus	mitogen activated protein kinase	0.0081	0.0177	0.0192
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Schistosoma mansoni	serine/threonine protein kinase	0.0081	0.0177	0.0192
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Trypanosoma cruzi	NEK family Serine/threonine-protein kinase, putative	0.0074	0.0135	0.0147
Entamoeba histolytica	PH domain containing protein kinase, putative	0.1233	0.6668	0.6668
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0624	0.3235	0.3235
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0615	0.3187	0.3464
Echinococcus multilocularis	serine threonine protein kinase	0.0615	0.3187	0.3464
Echinococcus granulosus	protein kinase c iota type	0.0624	0.3235	0.3516
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0615	0.3187	0.3464
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0081	0.0177	0.0177
Trypanosoma brucei	mitogen-activated protein kinase kinase 5	0.1682	0.9201	0.9201
Entamoeba histolytica	protein kinase, putative	0.1824	1	1
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.1183	0.6387	1
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.1774	0.972	0.972
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.1183	0.6387	1
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Schistosoma mansoni	serine/threonine-protein kinase	0.1233	0.6668	0.7247
Entamoeba histolytica	protein kinase, putative	0.0074	0.0135	0.0135
Entamoeba histolytica	protein kinase, putative	0.0615	0.3187	0.3187
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Trichomonas vaginalis	AGC family protein kinase	0.1824	1	1
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0074	0.0135	0.0147
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0615	0.3187	0.3187
Entamoeba histolytica	protein kinase, putative	0.0074	0.0135	0.0135
Entamoeba histolytica	p21-activated kinase	0.0074	0.0135	0.0135
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0081	0.0177	0.0192
Schistosoma mansoni	serine/threonine kinase	0.0615	0.3187	0.3464
Schistosoma mansoni	serine/threonine protein kinase	0.0624	0.3235	0.3516
Trichomonas vaginalis	STE family protein kinase	0.1682	0.9201	0.9201
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Entamoeba histolytica	protein kinase, putative	0.0074	0.0135	0.0135
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.1183	0.6387	0.6942
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0048	0.0048
Echinococcus multilocularis	nervana 2	0.1159	0.6253	0.6795
Echinococcus granulosus	Protein kinase C brain isozyme	0.0624	0.3235	0.3516
Trichomonas vaginalis	AGC family protein kinase	0.1824	1	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0615	0.3187	0.3464
Trichomonas vaginalis	AGC family protein kinase	0.0615	0.3187	0.3187
Toxoplasma gondii	calcium dependent protein kinase CDPK7	0.0074	0.0135	0.0139
Onchocerca volvulus		0.0058	0.0048	1
Trypanosoma brucei	serine/threonine-protein kinase NrkA	0.0074	0.0135	0.0135
Brugia malayi	p70 ribosomal S6 kinase beta	0.1774	0.972	0.972
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.1233	0.6668	0.7247
Trichomonas vaginalis	AGC family protein kinase	0.1824	1	1
Trypanosoma brucei	protein kinase, putative	0.0081	0.0177	0.0177
Entamoeba histolytica	protein kinase, putative	0.0074	0.0135	0.0135
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0615	0.3187	0.3187
Giardia lamblia	Kinase, STE STE20	0.1682	0.9201	1
Loa Loa (eye worm)	STE/STE7/MEK1 protein kinase	0.1682	0.9201	0.9201
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0074	0.0135	0.0135
Echinococcus multilocularis	rac serine:threonine kinase	0.1233	0.6668	0.7247
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Trypanosoma brucei	serine/threonine-protein kinase NRKB, putative	0.0074	0.0135	0.0135
Trichomonas vaginalis	3-phosphoinositide dependent protein kinase-1, putative	0.0074	0.0135	0.0135
Echinococcus granulosus	raf serine:threonine protein kinase	0.0245	0.1103	0.1198
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0615	0.3187	0.3187
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0081	0.0177	0.0192
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0615	0.3187	0.3187
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Schistosoma mansoni	serine/threonine protein kinase	0.0624	0.3235	0.3516
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Trichomonas vaginalis	CMGC family protein kinase	0.0081	0.0177	0.0177
Brugia malayi	Hr1 repeat family protein	0.0615	0.3187	0.3187
Brugia malayi	Raf kinase	0.0237	0.1054	0.1054
Trypanosoma cruzi	NIMA-related kinase, putative	0.0074	0.0135	0.0147
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0074	0.0135	0.0147
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0081	0.0177	0.0192
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0074	0.0135	0.0135
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0081	0.0177	0.0182
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0624	0.3235	0.3516
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0074	0.0135	0.0135
Echinococcus granulosus	protein kinase c epsilon type	0.0624	0.3235	0.3516
Loa Loa (eye worm)	TKL/RAF/RAF protein kinase	0.0139	0.0504	0.0504
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0615	0.3187	0.3464
Leishmania major	protein kinase, putative	0.0074	0.0135	0.0147
Trypanosoma cruzi	Protein kinase B	0.1233	0.6668	0.7247
Echinococcus granulosus	protein kinase C gamma type	0.0615	0.3187	0.3464
Brugia malayi	Protein kinase domain containing protein	0.0615	0.3187	0.3187
Entamoeba histolytica	protein kinase 2, putative	0.1183	0.6387	0.6387
Toxoplasma gondii	protein kinase domain-containing protein	0.0074	0.0135	0.0139
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Schistosoma mansoni	serine/threonine protein kinase	0.0615	0.3187	0.3464
Trichomonas vaginalis	AGC family protein kinase	0.1824	1	1
Entamoeba histolytica	protein kinase, putative	0.1824	1	1
Echinococcus granulosus	nervana 2	0.1159	0.6253	0.6795
Echinococcus granulosus	serine threonine protein kinase nrc	0.1183	0.6387	0.6942
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0615	0.3187	0.3464
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0591	0.3052	0.3052
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.1159	0.6253	0.6795
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0615	0.3187	0.3464
Schistosoma mansoni	serine/threonine protein kinase	0.0245	0.1103	0.1198
Loa Loa (eye worm)	hypothetical protein	0.0615	0.3187	0.3187
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0615	0.3187	0.3464
Leishmania major	protein kinase, putative	0.0074	0.0135	0.0147
Schistosoma mansoni	vav2	0.0058	0.0048	0.0052
Echinococcus multilocularis	nervana 2	0.1159	0.6253	0.6795
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Leishmania major	rac serine-threonine kinase, putative,protein kinase, putative	0.0074	0.0135	0.0147
Leishmania major	serine/threonine-protein kinase a, putative	0.0074	0.0135	0.0147
Echinococcus granulosus	serine/threonine protein kinase	0.1233	0.6668	0.7247
Schistosoma mansoni	serine/threonine protein kinase	0.0615	0.3187	0.3464
Trypanosoma brucei	rac serine-threonine kinase, putative	0.1824	1	1
Echinococcus granulosus	nervana 2	0.1159	0.6253	0.6795
Echinococcus multilocularis	mitogen activated protein kinase	0.0081	0.0177	0.0192
Leishmania major	folate/biopterin transporter, putative	0.0074	0.0135	0.0147
Trichomonas vaginalis	AGC family protein kinase	0.0665	0.3467	0.3467
Echinococcus granulosus	dual specificity mitogen activated protein	0.1682	0.9201	1
Trichomonas vaginalis	STE family protein kinase	0.1682	0.9201	0.9201
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Trichomonas vaginalis	AGC family protein kinase	0.0615	0.3187	0.3187
Trichomonas vaginalis	AGC family protein kinase	0.1824	1	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0048	0.0048
Echinococcus granulosus	serine:threonine protein kinase N2	0.0615	0.3187	0.3464
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.1183	0.6387	0.6942
Schistosoma mansoni	atypical protein kinase C	0.0624	0.3235	0.3516
Leishmania major	protein kinase, putative,serine/threonine protein kinase, putative	0.0074	0.0135	0.0147
Entamoeba histolytica	protein kinase, putative	0.1774	0.972	0.972
Trypanosoma cruzi	NIMA-related kinase, putative	0.0074	0.0135	0.0147
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0081	0.0177	0.0192
Schistosoma mansoni	protein kinase	0.1682	0.9201	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.0081	0.0177	0.0192
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0615	0.3187	0.3464
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0074	0.0135	0.0135
Schistosoma mansoni	serine/threonine protein kinase	0.0615	0.3187	0.3464
Echinococcus granulosus	Glutaredoxin protein 5	0.1159	0.6253	0.6795
Trypanosoma brucei	NEK family Serine/threonine-protein kinase, putative	0.0074	0.0135	0.0135
Schistosoma mansoni	serine/threonine protein kinase	0.0624	0.3235	0.3516
Trichomonas vaginalis	AGC family protein kinase	0.1824	1	1
Echinococcus multilocularis	dual specificity mitogen activated protein	0.1682	0.9201	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.1824	1	1
Echinococcus multilocularis	protein kinase c iota type	0.0624	0.3235	0.3516
Brugia malayi	Protein kinase domain containing protein	0.0615	0.3187	0.3187
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0615	0.3187	0.3187
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Brugia malayi	Dual specificity mitogen-activated protein kinase kinase mek-2	0.1682	0.9201	0.9201
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0074	0.0135	0.0147
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.0135	0.0135
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0245	0.1103	0.1198
Toxoplasma gondii	AGC kinase	0.1774	0.972	1
Echinococcus granulosus	myotubularin protein 13	0.0058	0.0048	0.0052
Plasmodium vivax	calcium-dependent protein kinase 7, putative	0.0074	0.0135	0.0211
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.1159	0.6253	0.6795
Echinococcus granulosus	NDR protein kinase	0.0615	0.3187	0.3464
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0074	0.0135	0.0147

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.697	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.52	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
GI50 (functional)	-4.422	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.411	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)	-4.409	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)	-4.361	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.346	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)	-4.252	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 DU-145 Prostate 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: CHEMBL1986469

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 1607455