TDR Targets

Basic information

Technical information

TDR Targets ID: 70016
Name: 8-imidazo[1,5-a]pyridin-5-yloctanoic acid
MW: 260.331 | Formula: C15H20N2O2
H donors: 1 H acceptors: 3 LogP: 3.98 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CCCCCCCc1cccc2n1cnc2
InChi: 1S/C15H20N2O2/c18-15(19)10-5-3-1-2-4-7-13-8-6-9-14-11-16-12-17(13)14/h6,8-9,11-12H,1-5,7,10H2,(H,18,19)
InChiKey: OXXHNQLTJAVHCJ-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

8-(5-imidazo[1,5-a]pyridinyl)octanoic acid
8-imidazo[1,5-a]pyridin-5-ylcaprylic acid
8-imidazo[5,1-f]pyridin-5-yloctanoic acid
8-(5-imidazo[5,1-f]pyridinyl)octanoic acid
8-imidazo[5,1-f]pyridin-5-ylcaprylic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	thromboxane A synthase 1 (platelet)	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	cytochrome P450, putative	thromboxane A synthase 1 (platelet)	534 aa	498 aa	21.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Animal haem peroxidase family protein	0.0063	0.0815	0.0889
Brugia malayi	jmjC domain containing protein	0.0209	0.3751	0.409
Echinococcus granulosus	jumonji domain containing protein	0.0089	0.1324	0.1166
Schistosoma mansoni	jumonji domain containing protein	0.0166	0.2883	0.3029
Echinococcus granulosus	thioredoxin glutathione reductase	0.0101	0.1583	0.1446
Brugia malayi	Animal haem peroxidase family protein	0.0063	0.0815	0.0889
Brugia malayi	hypothetical protein	0.0063	0.0815	0.0889
Onchocerca volvulus		0.0065	0.085	0.0038
Plasmodium falciparum	phd finger protein, putative	0.0064	0.0819	0.4305
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0065	0.085	0.4535
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0026	0.0053	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0815	0.0642
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0458	0.0234
Trypanosoma cruzi	trypanothione reductase, putative	0.0101	0.1583	0.1628
Plasmodium vivax	SET domain protein, putative	0.0065	0.085	0.4535
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0064	0.0819	0.086
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0035	0.0241	0.5
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0231	0.4212	0.7579
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0334	0.6288	0.6196
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0257	0.4734	0.8577
Trichomonas vaginalis	set domain proteins, putative	0.0517	1	1
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0035	0.0241	0.5
Mycobacterium tuberculosis	Halimadienyl diphosphate synthase	0.0294	0.548	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0231	0.4212	0.7579
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0257	0.4734	0.8577
Echinococcus granulosus	lysine specific demethylase 5A	0.0077	0.109	0.0915
Loa Loa (eye worm)	hypothetical protein	0.005	0.0541	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0815	0.0642
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0334	0.6288	0.6196
Echinococcus granulosus	histone lysine methyltransferase setb	0.0065	0.085	0.0656
Brugia malayi	jmjC domain containing protein	0.0077	0.109	0.1189
Giardia lamblia	Fructose-bisphosphate aldolase	0.0334	0.6288	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0815	0.0642
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0065	0.085	0.0656
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0163	0.2831	0.4944
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0334	0.6288	0.5
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0815	0.0642
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0458	0.0234
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0101	0.1583	0.256
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0334	0.6288	0.6196
Schistosoma mansoni	peroxidasin	0.0063	0.0815	0.0856
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0334	0.6288	0.6196
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0063	0.0801	0.0603
Brugia malayi	PHD-finger family protein	0.0064	0.0819	0.0893
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0065	0.085	0.0893
Loa Loa (eye worm)	raf kinase	0.0491	0.9469	1
Schistosoma mansoni	peroxidasin	0.0063	0.0815	0.0856
Echinococcus granulosus	peregrin	0.0064	0.0819	0.0622
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0458	0.0481
Brugia malayi	glutathione reductase	0.0101	0.1583	0.1726
Brugia malayi	Animal haem peroxidase family protein	0.0063	0.0815	0.0889
Loa Loa (eye worm)	jmjC domain-containing protein	0.0077	0.109	0.0939
Echinococcus granulosus	peroxidasin	0.0063	0.0815	0.0618
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0815	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1739	0.1641
Loa Loa (eye worm)	hypothetical protein	0.0065	0.085	0.0679
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0819	0.0646
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0815	0.0642
Schistosoma mansoni	serine/threonine protein kinase	0.0494	0.9518	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0209	0.3751	0.3783
Leishmania major	lanosterol synthase, putative	0.0442	0.848	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0541	0.0591
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0077	0.109	0.1145
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0231	0.4212	0.7255
Mycobacterium tuberculosis	Probable reductase	0.0231	0.4212	0.7579
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0231	0.4212	0.7579
Loa Loa (eye worm)	animal heme peroxidase	0.0063	0.0815	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0815	0.0642
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0035	0.0241	0.0254
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0541	0.0591
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0101	0.1583	0.1446
Schistosoma mansoni	hypothetical protein	0.0064	0.0819	0.086
Toxoplasma gondii	PHD-finger domain-containing protein	0.0064	0.0819	0.4305
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0458	0.0481
Loa Loa (eye worm)	TKL/RAF/RAF protein kinase	0.028	0.5193	0.5376
Brugia malayi	Pre-SET motif family protein	0.0065	0.085	0.0927
Loa Loa (eye worm)	jmjC domain-containing protein	0.0132	0.2191	0.213
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0815	0.0642
Mycobacterium tuberculosis	Probable dehydrogenase	0.0231	0.4212	0.7579
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0222	0.0242
Plasmodium falciparum	thioredoxin reductase	0.0101	0.1583	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0815	0.0642
Echinococcus granulosus	PHD finger protein rhinoceros	0.0064	0.0819	0.0622
Schistosoma mansoni	hypothetical protein	0.0177	0.3102	0.3259
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0163	0.2831	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0334	0.6288	0.6196
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0455	0.8729	0.92
Trypanosoma brucei	lanosterol synthase	0.0442	0.848	1
Loa Loa (eye worm)	thioredoxin reductase	0.0101	0.1583	0.1472
Toxoplasma gondii	PHD-finger domain-containing protein	0.0064	0.0819	0.4305
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0815	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0815	0.0642
Trypanosoma cruzi	lanosterol synthase, putative	0.0442	0.848	1
Brugia malayi	Animal haem peroxidase family protein	0.0063	0.0815	0.0889
Mycobacterium tuberculosis	Probable oxidoreductase	0.0257	0.4734	0.8577
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0458	0.0481
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0494	0.9518	1
Toxoplasma gondii	thioredoxin reductase	0.0101	0.1583	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0458	0.0234
Echinococcus granulosus	raf serine:threonine protein kinase	0.0494	0.9518	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0334	0.6288	1
Plasmodium falciparum	glutathione reductase	0.0101	0.1583	1
Plasmodium vivax	hypothetical protein, conserved	0.0064	0.0819	0.4305
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0541	0.0346
Brugia malayi	Peroxidasin	0.0063	0.0815	0.0889
Schistosoma mansoni	hypothetical protein	0.0034	0.0222	0.0233
Brugia malayi	Pre-SET motif family protein	0.0455	0.8729	0.952
Echinococcus multilocularis	lysine specific demethylase 5A	0.0077	0.109	0.0915
Echinococcus multilocularis	geminin	0.0177	0.3102	0.3084
Brugia malayi	Animal haem peroxidase family protein	0.0063	0.0815	0.0889
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0065	0.085	0.0656
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0065	0.085	0.0893
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0334	0.6288	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0063	0.0815	0.0642
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0334	0.6288	0.6196
Echinococcus granulosus	geminin	0.0177	0.3102	0.3084
Trypanosoma cruzi	lanosterol synthase, putative	0.0442	0.848	1
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0026	0.0053	0.0057
Echinococcus multilocularis	peroxidasin	0.0063	0.0815	0.0618
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0035	0.0241	0.0263
Echinococcus multilocularis	jumonji domain containing protein	0.0089	0.1324	0.1166
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0815	0.0642
Loa Loa (eye worm)	glutathione reductase	0.0101	0.1583	0.1472
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0815	0.0642
Onchocerca volvulus	Alhambra homolog	0.0064	0.0819	0.0004
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0458	0.0256
Brugia malayi	Bromodomain containing protein	0.0064	0.0819	0.0893
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0065	0.085	0.0893
Leishmania major	trypanothione reductase	0.0101	0.1583	0.1628
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0815	0.0642
Brugia malayi	Thioredoxin reductase	0.0101	0.1583	0.1726
Brugia malayi	Raf kinase	0.0476	0.917	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0231	0.4212	0.7579
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0458	0.05
Giardia lamblia	PHD finger protein 15	0.0064	0.0819	0.0955
Trypanosoma brucei	trypanothione reductase	0.0101	0.1583	0.1628
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0458	0.0234
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0065	0.085	0.0893
Plasmodium vivax	thioredoxin reductase, putative	0.0101	0.1583	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.0063	0.0815	0.0642
Schistosoma mansoni	hypothetical protein	0.0177	0.3102	0.3259
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0064	0.0819	0.0622
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0334	0.6288	0.6196
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0035	0.0241	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0077	0.109	0.1145
Plasmodium vivax	glutathione reductase, putative	0.0101	0.1583	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0209	0.3751	0.3783
Brugia malayi	Blistered cuticle protein 3	0.0063	0.0815	0.0889
Loa Loa (eye worm)	PHD-finger family protein	0.0064	0.0819	0.0646
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0334	0.6288	0.6196
Loa Loa (eye worm)	animal heme peroxidase	0.0063	0.0815	0.0642
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0257	0.4734	1
Echinococcus multilocularis	peregrin	0.0064	0.0819	0.0622
Loa Loa (eye worm)	animal heme peroxidase	0.0063	0.0815	0.0642

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 21 nM	In vitro inhibition of thromboxane A2 synthetase from human platelets.	ChEMBL.	3918169
IC50 (binding)	= 21 nM	In vitro inhibition of thromboxane A2 synthetase from human platelets.	ChEMBL.	3918169
logP (ADMET)	= 2.01	Partition coefficient (logP)	ChEMBL.	3918169

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: CHEMBL49633
PubChem: 13206140

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 70016