TDR Targets

Basic information

Technical information

TDR Targets ID: 81025
Name: 1-[3-(dimethylamino)propylamino]-5,6,11-trime thylpyrido[4,3-b]carbazol-9-ol
MW: 376.495 | Formula: C23H28N4O
H donors: 2 H acceptors: 2 LogP: 4.6 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCCNc1nccc2c1c(C)c1c(c2C)n(c2c1cc(O)cc2)C)C
InChi: 1S/C23H28N4O/c1-14-17-9-11-25-23(24-10-6-12-26(3)4)21(17)15(2)20-18-13-16(28)7-8-19(18)27(5)22(14)20/h7-9,11,13,28H,6,10,12H2,1-5H3,(H,24,25)
InChiKey: HAXZJVNGSUXYCM-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-[3-(dimethylamino)propylamino]-5,6,11-trimethyl-pyrido[4,3-b]carbazol-9-ol
1-[3-(dimethylamino)propylamino]-5,6,11-trimethyl-9-pyrido[4,3-b]carbazolol
1-(3-dimethylaminopropylamino)-5,6,11-trimethylpyrido[3,4-h]carbazol-9-ol
1-(3-dimethylaminopropylamino)-5,6,11-trimethyl-pyrido[3,4-h]carbazol-9-ol
1-(3-dimethylaminopropylamino)-5,6,11-trimethyl-9-pyrido[3,4-h]carbazolol
83948-23-6
1-((3-(Dimethylamino)propyl)amino)-5,6,11-trimethyl-6H-pyrido(4,3-b)carbazol-9-ol
6H-Pyrido(4,3-b)carbazol-9-ol, 1-((3-(dimethylamino)propyl)amino)-5,6,11-trimethyl-
BRN 5633195

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
Schistosoma mansoni	chromosome transmission fidelity factor	0.0074	0.0216	0.0255
Brugia malayi	topoisomerase	0.0074	0.0216	0.0216
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0142	0.2225	0.2225
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0154	0.2584	0.2584
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.0216	0.0124
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0406	1	1
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0074	0.0216	0.0124
Schistosoma mansoni	hypothetical protein	0.0353	0.8459	1
Brugia malayi	Pax transcription activation domain interacting protein	0.0074	0.0216	0.0216
Trypanosoma cruzi	adenosine kinase, putative	0.0348	0.8294	1
Plasmodium falciparum	replication factor C subunit 1, putative	0.0074	0.0216	0.5
Toxoplasma gondii	kinase, pfkB family protein	0.0348	0.8294	1
Schistosoma mansoni	tar DNA-binding protein	0.0142	0.2225	0.2631
Echinococcus granulosus	adenosine kinase	0.0348	0.8294	0.8294
Chlamydia trachomatis	DNA ligase	0.0074	0.0216	0.5
Giardia lamblia	Hypothetical protein	0.0406	1	1
Loa Loa (eye worm)	hypothetical protein	0.0348	0.8294	0.8294
Trichomonas vaginalis	replication factor C large subunit, putative	0.0074	0.0216	0.0103
Onchocerca volvulus	Equilibrative nucleoside transporter, putative homolog	0.0406	1	1
Trypanosoma brucei	adenosine kinase, putative	0.0348	0.8294	1
Brugia malayi	hypothetical protein	0.0406	1	1
Loa Loa (eye worm)	RNA binding protein	0.0142	0.2225	0.2225
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0406	1	1
Brugia malayi	DKFZp564C0469 protein	0.0074	0.0216	0.0216
Echinococcus granulosus	equilibrative nucleoside transporter 3	0.0406	1	1
Toxoplasma gondii	ATPase, AAA family protein	0.0074	0.0216	0.0124
Entamoeba histolytica	hypothetical protein	0.0154	0.2584	0.2499
Trichomonas vaginalis	conserved hypothetical protein	0.0074	0.0216	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0144	0.2278	0.2278
Schistosoma mansoni	hypothetical protein	0.0154	0.2584	0.3055
Schistosoma mansoni	topbp1	0.0074	0.0216	0.0255
Schistosoma mansoni	adenosine kinase	0.0348	0.8294	0.9805
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0074	0.0216	0.0103
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.021	0.4241	0.4241
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0406	1	1
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0406	1	1
Brugia malayi	TAR-binding protein	0.0142	0.2225	0.2225
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0301	0.6905	0.6905
Schistosoma mansoni	tar DNA-binding protein	0.0142	0.2225	0.2631
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0074	0.0216	0.5
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0216	0.0216
Trichomonas vaginalis	conserved hypothetical protein	0.0074	0.0216	0.0103
Brugia malayi	RNA, U transporter 1	0.008	0.0399	0.0399
Onchocerca volvulus	Equilibrative nucleoside transporter, putative homolog	0.0406	1	1
Loa Loa (eye worm)	hypothetical protein	0.0406	1	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0216	0.0216
Trichomonas vaginalis	conserved hypothetical protein	0.0074	0.0216	0.0103
Brugia malayi	Calcitonin receptor-like protein seb-1	0.021	0.4241	0.4241
Entamoeba histolytica	nucleoside transporter, putative	0.0406	1	1
Echinococcus multilocularis	equilibrative nucleoside transporter 3	0.0335	0.7923	0.7923
Echinococcus multilocularis	equilibrative nucleoside transporter 3	0.0406	1	1
Echinococcus granulosus	geminin	0.0353	0.8459	0.8459
Echinococcus multilocularis	snurportin 1	0.0301	0.6905	0.6905
Echinococcus granulosus	nibrin	0.0074	0.0216	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0216	0.0216
Brugia malayi	Adenosine kinase-like	0.0348	0.8294	0.8294
Schistosoma mansoni	adenosine kinase	0.0348	0.8294	0.9805
Schistosoma mansoni	hypothetical protein	0.0144	0.2278	0.2693
Brugia malayi	RNA binding protein	0.0142	0.2225	0.2225
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0074	0.0216	0.0103
Echinococcus multilocularis	tar DNA binding protein	0.0142	0.2225	0.2225
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0216	0.0216
Entamoeba histolytica	hypothetical protein	0.0154	0.2584	0.2499
Schistosoma mansoni	protein kinase	0.007	0.0114	0.0135
Leishmania major	adenosine kinase, putative	0.0348	0.8294	1
Echinococcus granulosus	replication factor c subunit 1	0.0074	0.0216	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0406	1	1
Brugia malayi	hypothetical protein	0.0074	0.0216	0.0216
Trypanosoma cruzi	adenosine kinase, putative	0.0348	0.8294	1
Schistosoma mansoni	transcription factor LCR-F1	0.0154	0.2584	0.3055
Brugia malayi	hypothetical protein	0.007	0.0114	0.0114
Schistosoma mansoni	tar DNA-binding protein	0.0142	0.2225	0.2631
Echinococcus multilocularis	nibrin	0.0074	0.0216	0.0216
Schistosoma mansoni	tar DNA-binding protein	0.0142	0.2225	0.2631
Plasmodium vivax	replication factor C subunit 1, putative	0.0074	0.0216	0.5
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0216	0.0216
Trypanosoma cruzi	FHA domain containing protein, putative	0.0074	0.0216	0.0124
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0074	0.0216	0.0216
Brugia malayi	hypothetical protein	0.0154	0.2584	0.2584
Echinococcus multilocularis	replication factor c subunit 1	0.0074	0.0216	0.0216
Echinococcus granulosus	tar DNA binding protein	0.0142	0.2225	0.2225
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0074	0.0216	0.0124
Entamoeba histolytica	hypothetical protein	0.0074	0.0216	0.0103
Brugia malayi	RNA recognition motif domain containing protein	0.0142	0.2225	0.2225
Trypanosoma brucei	adenosine kinase, putative	0.0348	0.8294	1
Entamoeba histolytica	hypothetical protein	0.0154	0.2584	0.2499
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0074	0.0216	0.0103
Echinococcus granulosus	equilibrative nucleoside transporter	0.0406	1	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0154	0.2584	0.2584
Loa Loa (eye worm)	hypothetical protein	0.0406	1	1
Brugia malayi	hypothetical protein	0.0074	0.0216	0.0216
Onchocerca volvulus		0.0308	0.7125	0.7062
Entamoeba histolytica	hypothetical protein	0.0154	0.2584	0.2499
Treponema pallidum	DNA ligase (lig)	0.0074	0.0216	0.5
Loa Loa (eye worm)	hypothetical protein	0.021	0.4241	0.4241
Loa Loa (eye worm)	hypothetical protein	0.007	0.0114	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0216	0.0216
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.0216	0.0124
Schistosoma mansoni	DNA ligase IV	0.0074	0.0216	0.0255
Echinococcus granulosus	snurportin 1	0.0301	0.6905	0.6905
Schistosoma mansoni	equilibrative nucleoside transporter	0.007	0.0114	0.0135
Echinococcus multilocularis	equilibrative nucleoside transporter protein	0.0406	1	1
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0074	0.0216	0.0124
Trichomonas vaginalis	conserved hypothetical protein	0.0074	0.0216	0.0103
Schistosoma mansoni	hypothetical protein	0.0353	0.8459	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0144	0.2278	0.2278
Schistosoma mansoni	hypothetical protein	0.0301	0.6905	0.8163
Loa Loa (eye worm)	TAR-binding protein	0.0142	0.2225	0.2225
Schistosoma mansoni	topbp1	0.0074	0.0216	0.0255
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.021	0.4241	0.4241
Trichomonas vaginalis	conserved hypothetical protein	0.0074	0.0216	0.0103
Echinococcus multilocularis	adenosine kinase	0.0348	0.8294	0.8294
Echinococcus multilocularis	geminin	0.0353	0.8459	0.8459
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0074	0.0216	0.0103
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.0074	0.0216	0.5
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0074	0.0216	0.0103
Schistosoma mansoni	tar DNA-binding protein	0.0142	0.2225	0.2631
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.0074	0.0216	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
ID50 (functional)	= 0.03 uM	In vitro cytotoxicity against L1210 cell line as concentration of the compound required for 50% inhibition of cell growth	ChEMBL.	6827534
ID50 (functional)	= 0.03 uM	In vitro cytotoxicity against L1210 cell line as concentration of the compound required for 50% inhibition of cell growth	ChEMBL.	6827534
ILS (functional)	= 68 %	Antitumor activity against L1210 leukemia cells measured as percent increase in life span (% ILS) at 10 mg/kg	ChEMBL.	6827534
ILS (functional)	= 68 %	Antitumor activity against L1210 leukemia cells measured as percent increase in life span (% ILS) at 10 mg/kg	ChEMBL.	6827534
K (functional)	= 33 uM-1	Cytotoxicity against L1210 tumor cell line, activity is expressed as K (inverse value of drug concentration)	ChEMBL.	6827534
K (functional)	= 33 uM-1	Cytotoxicity against L1210 tumor cell line, activity is expressed as K (inverse value of drug concentration)	ChEMBL.	6827534
LD0 (ADMET)	= 10 mg kg-1	Acute toxicity in mice (LD0) after i.p. administration (highest nontoxic dose)	ChEMBL.	6827534
LD0 (ADMET)	= 10 mg kg-1	Acute toxicity in mice (LD0) after i.p. administration (highest nontoxic dose)	ChEMBL.	6827534
LD100 (ADMET)	= 50 mg kg-1	Acute toxicity in mice (LD100) after i.p. administration	ChEMBL.	6827534
LD100 (ADMET)	= 50 mg kg-1	Acute toxicity in mice (LD100) after i.p. administration	ChEMBL.	6827534
MST (functional)	= 16.3 day	Antitumor activity against L1210 leukemia cells measured as Median survival time at 10 mg/kg	ChEMBL.	6827534
MST (functional)	= 16.3 day	Antitumor activity against L1210 leukemia cells measured as Median survival time at 10 mg/kg	ChEMBL.	6827534
Range of death (functional)	= 20 day	Antitumor activity against L1210 leukemia cells measured as range of death at 10 mg/kg ; value may range from 8 to 20	ChEMBL.	6827534
Range of death (functional)	= 20 day	Antitumor activity against L1210 leukemia cells measured as range of death at 10 mg/kg ; value may range from 8 to 20	ChEMBL.	6827534

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: CHEMBL54595
PubChem: 3068875

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 81025