TDR Targets

Basic information

Technical information

TDR Targets ID: 1458310
Name: morpholin-4-yl-[4-[(2,6,8-trimethylquinolin-4 -yl)amino]phenyl]methanone
MW: 375.464 | Formula: C23H25N3O2
H donors: 1 H acceptors: 2 LogP: 3.95 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc(C)c2c(c1)c(Nc1ccc(cc1)C(=O)N1CCOCC1)cc(n2)C
InChi: 1S/C23H25N3O2/c1-15-12-16(2)22-20(13-15)21(14-17(3)24-22)25-19-6-4-18(5-7-19)23(27)26-8-10-28-11-9-26/h4-7,12-14H,8-11H2,1-3H3,(H,24,25)
InChiKey: HQCKKCLWVDQHIQ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

morpholino-[4-[(2,6,8-trimethyl-4-quinolyl)amino]phenyl]methanone
MLS000678198
SMR000285403
BAS 02063974
Oprea1_298591
Oprea1_407655
Morpholin-4-yl-[4-(2,6,8-trimethyl-quinolin-4-ylamino)-phenyl]-methanone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.018	0.3235
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1196	0.1035
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1196	0.1035
Loa Loa (eye worm)	RNA binding protein	0.0135	0.3488	0.3431
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0081	0.1952	0.5
Echinococcus granulosus	snurportin 1	0.0354	0.982	0.9817
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0081	0.1952	0.1805
Toxoplasma gondii	HEAT repeat-containing protein	0.0033	0.0557	0.1534
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.2975	0.2899
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0081	0.1952	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0354	0.982	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0557	0.0391
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0081	0.1952	0.1805
Brugia malayi	RNA binding protein	0.0135	0.3488	1
Echinococcus multilocularis	geminin	0.036	1	1
Trichomonas vaginalis	importin beta-1, putative	0.0027	0.0376	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.2975	0.2899
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1196	0.3072
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1952	0.1838
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.018	0.3235
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0024	0.0304	0.5462
Schistosoma mansoni	ran	0.0024	0.0304	0.0126
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0024	0.0304	1
Brugia malayi	MH2 domain containing protein	0.0117	0.2975	0.8451
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.0304	0.0126
Echinococcus multilocularis	snurportin 1	0.0354	0.982	0.9817
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0081	0.1952	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0557	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0376	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0557	1
Echinococcus granulosus	importin subunit beta 1	0.0033	0.0557	0.0384
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.018	0.3235
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0081	0.1952	1
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.018	0.3235
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.0304	0.0126
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.3488	0.3368
Schistosoma mansoni	ran	0.0024	0.0304	0.0126
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0053	0.1142	0.0979
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.018	0.3235
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0081	0.1952	1
Brugia malayi	RNA recognition motif domain containing protein	0.0135	0.3488	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0304	0.6337
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0081	0.1952	1
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.018	0.3235
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0024	0.0304	0.0375
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.018	0.3235
Brugia malayi	hypothetical protein	0.0124	0.3196	0.9117
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0376	1
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.3488	0.3368
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0024	0.0304	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0124	0.3196	0.3128
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0053	0.1142	0.4744
Trypanosoma brucei	unspecified product	0.002	0.018	0.3235
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0053	0.1142	1
Loa Loa (eye worm)	TAR-binding protein	0.0135	0.3488	0.3431
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.018	0.3235
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.018	0.3235
Plasmodium vivax	importin-beta 2, putative	0.0033	0.0557	0.1534
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.3488	0.3368
Schistosoma mansoni	peptidase Clp (S14 family)	0.0081	0.1952	0.1805
Toxoplasma gondii	hypothetical protein	0.0028	0.041	0.0643
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1196	0.1035
Plasmodium falciparum	importin beta, putative	0.0033	0.0557	0.1534
Echinococcus multilocularis	tar DNA binding protein	0.0135	0.3488	0.3368
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.3488	0.3368
Loa Loa (eye worm)	hypothetical protein	0.0124	0.3196	0.3128
Schistosoma mansoni	hypothetical protein	0.036	1	1
Onchocerca volvulus	Huntingtin homolog	0.0124	0.3196	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.018	0.3235
Leishmania major	importin beta-1 subunit, putative	0.0027	0.0376	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0081	0.1952	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1196	0.1054
Trichomonas vaginalis	ran, putative	0.0024	0.0304	0.6337
Brugia malayi	Probable ClpP-like protease	0.0081	0.1952	0.5358
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.3488	0.3368
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1196	0.1035
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0135	0.3488	0.3431
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0081	0.1952	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0028	0.041	0.0643
Brugia malayi	RNA, U transporter 1	0.0094	0.2322	0.6476
Brugia malayi	TAR-binding protein	0.0135	0.3488	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0081	0.1952	0.5
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0081	0.1952	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1196	0.1035
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.018	0.3235
Echinococcus multilocularis	importin subunit beta 1	0.0033	0.0557	0.0384
Onchocerca volvulus	Huntingtin homolog	0.0124	0.3196	0.5
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0053	0.1142	1
Entamoeba histolytica	Ran family GTPase	0.0024	0.0304	0.6337
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0081	0.1952	0.5
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0027	0.0376	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.018	0.3235
Brugia malayi	Importin beta-1 subunit	0.0033	0.0557	0.1139
Trypanosoma brucei	DNA polymerase eta, putative	0.002	0.018	0.3235
Schistosoma mansoni	hypothetical protein	0.0354	0.982	0.9817
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1196	0.1035
Schistosoma mansoni	hypothetical protein	0.036	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.018	0.3235
Echinococcus granulosus	peptidase Clp S14 family	0.0053	0.1142	0.0979
Schistosoma mansoni	importin beta-1	0.0033	0.0557	0.0384
Entamoeba histolytica	hypothetical protein	0.0027	0.0376	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0304	0.6337
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0028	0.041	0.0643
Echinococcus granulosus	tar DNA binding protein	0.0135	0.3488	0.3368
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1196	0.1035
Leishmania major	GTP-binding protein, putative	0.0024	0.0304	0.6337

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.2589 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	1.9953 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
Plasmodium falciparum	ChEMBL23

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: CHEMBL1612435

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 1458310