TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 428.475 | Formula: C23H26F2N4O2
H donors: 2 H acceptors: 2 LogP: 3.25 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: C[C@H](NC(=O)c1ccc(c(c1)F)F)CN1CCC2(CC1)C(=O)NCN2c1ccccc1
InChi: 1S/C23H26F2N4O2/c1-16(27-21(30)17-7-8-19(24)20(25)13-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1
InChiKey: JMFQTTHZMGEEHM-INIZCTEOSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	phospholipase D1, phosphatidylcholine-specific	Starlite/ChEMBL	References
Homo sapiens	phospholipase D2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	phospholipase D	Get druggable targets OG5_128363	All targets in OG5_128363
Candida albicans	Phospholipase D:required for commitment to meiosis	Get druggable targets OG5_128363	All targets in OG5_128363
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128363	All targets in OG5_128363
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_128363	All targets in OG5_128363
Entamoeba histolytica	phospholipase D active site domain-containing protein	Get druggable targets OG5_128363	All targets in OG5_128363
Schistosoma japonicum	ko:K01115 phospholipase D [EC3.1.4.4], putative	Get druggable targets OG5_128363	All targets in OG5_128363
Schistosoma mansoni	phospholipase D	Get druggable targets OG5_128363	All targets in OG5_128363
Entamoeba histolytica	phospholipase D, putative	Get druggable targets OG5_128363	All targets in OG5_128363
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128363	All targets in OG5_128363
Brugia malayi	Phospholipase d protein 1	Get druggable targets OG5_128363	All targets in OG5_128363
Entamoeba histolytica	phospholipase D, putative	Get druggable targets OG5_128363	All targets in OG5_128363
Echinococcus granulosus	phospholipase D	Get druggable targets OG5_128363	All targets in OG5_128363
Echinococcus multilocularis	phospholipase D1	Get druggable targets OG5_128363	All targets in OG5_128363
Schistosoma japonicum	Phospholipase D1, putative	Get druggable targets OG5_128363	All targets in OG5_128363
Echinococcus granulosus	phospholipase D1	Get druggable targets OG5_128363	All targets in OG5_128363
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128363	All targets in OG5_128363
Candida albicans	Phospholipase D:required for commitment to meiosis	Get druggable targets OG5_128363	All targets in OG5_128363
Schistosoma japonicum	ko:K01115 phospholipase D [EC3.1.4.4], putative	Get druggable targets OG5_128363	All targets in OG5_128363
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128363	All targets in OG5_128363
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128363	All targets in OG5_128363

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
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0037	0.0855	0.4554
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.002	0.036	0.1697
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0022	0.0415	0.5
Brugia malayi	RNA binding protein	0.0144	0.4088	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0035	0.0795	0.4231
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0049	0.1231	0.3168
Brugia malayi	hypothetical protein	0.002	0.0346	0.0771
Loa Loa (eye worm)	phospholipase D	0.0023	0.0453	0.0919
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.1879	1
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0016	0.0224	0.0265
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0024	0.0483	0.2571
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0022	0.0415	0.1371
Entamoeba histolytica	acyl-coA synthetase, putative	0.0049	0.1231	0.3168
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0024	0.046	0.2451
Brugia malayi	exodeoxyribonuclease III family protein	0.0022	0.0415	0.094
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0037	0.0847	0.4509
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0022	0.0415	0.0824
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0071	0.1879	0.1728
Brugia malayi	Protein K4	0.002	0.0346	0.0771
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.4088	0.3978
Loa Loa (eye worm)	fatty acid synthase	0.0024	0.0473	0.0969
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0014	0.0165	0.0881
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0855	0.1924
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.1231	0.6179
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0017	0.0257	0.0438
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0022	0.0415	0.5
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0037	0.0855	1
Toxoplasma gondii	type I fatty acid synthase, putative	0.0017	0.0271	0.0538
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0026	0.0529	0.2815
Brugia malayi	Phospholipase d protein 1	0.0124	0.349	0.8525
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0026	0.0529	0.2041
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.1231	0.2952
Loa Loa (eye worm)	hypothetical protein	0.0104	0.2891	0.7009
Onchocerca volvulus		0.0057	0.1464	1
Brugia malayi	AMP-binding enzyme family protein	0.0037	0.087	0.2063
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.4088	0.3978
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0022	0.0415	0.1371
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.1231	0.6179
Loa Loa (eye worm)	hypothetical protein	0.0104	0.2891	0.7009
Trypanosoma cruzi	cardiolipin synthetase, putative	0.0043	0.1052	1
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0017	0.0257	0.0709
Leishmania major	phosphatidylglycerophosphate synthase, putative	0.0023	0.0453	0.1595
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0071	0.1879	1
Onchocerca volvulus	Putative phospholipase D	0.0023	0.0453	0.2112
Echinococcus multilocularis	phospholipase D	0.011	0.3053	0.2924
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.1879	0.1728
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0017	0.0257	0.0438
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1044	0.2395
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0014	0.0183	0.0018
Trypanosoma cruzi	cardiolipin synthetase, putative	0.0043	0.1052	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.1879	1
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0014	0.0183	0.0243
Mycobacterium ulcerans	thioesterase	0.002	0.036	0.1048
Plasmodium vivax	phosphatidylglycerophosphate synthase, putative	0.002	0.0346	0.2434
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0016	0.0234	0.0488
Echinococcus granulosus	tar DNA binding protein	0.0144	0.4088	0.3978
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0183	0.0972
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.002	0.0339	0.1495
Trypanosoma brucei	cardiolipin synthetase, putative	0.0043	0.1052	1
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0037	0.087	0.4632
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.4088	0.3978
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.1231	0.2952
Brugia malayi	Phospholipase D. Active site motif family protein	0.0043	0.1052	0.2512
Mycobacterium tuberculosis	Probable thioesterase TesA	0.002	0.036	0.1918
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0183	0.0972
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0049	0.1231	0.6179
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.1231	0.6179
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1231	0.2861
Toxoplasma gondii	exonuclease III APE	0.0022	0.0415	0.1386
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0144	0.4088	1
Plasmodium vivax	cardiolipin synthetase, putative	0.002	0.0346	0.2434
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0183	0.0367
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0071	0.1879	0.1728
Trypanosoma brucei	phosphatidylglycerolphosphate synthase, mitochondrial	0.002	0.0346	0.1882
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0026	0.0529	0.2815
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0022	0.0415	0.0237
Onchocerca volvulus		0.0049	0.1231	0.818
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0026	0.0529	0.3304
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1231	0.2861
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0017	0.0257	0.055
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0016	0.0234	0.0302
Echinococcus granulosus	phospholipase D	0.011	0.3053	0.2924
Mycobacterium ulcerans	polyketide synthase	0.0026	0.0529	0.2041
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0855	0.1924
Mycobacterium ulcerans	thioesterase TesA	0.002	0.036	0.1048
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0046	0.1142	0.2734
Brugia malayi	Phospholipase D. Active site motif family protein	0.0023	0.0453	0.1034
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0026	0.0529	0.3304
Loa Loa (eye worm)	hypothetical protein	0.0081	0.2185	0.5245
Plasmodium falciparum	acyl-CoA synthetase	0.0037	0.0855	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0022	0.0415	0.3455
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0052	0.1305	0.3393
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0037	0.0855	0.3967
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.1231	0.2952
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0453	0.0919
Loa Loa (eye worm)	RNA binding protein	0.0144	0.4088	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0022	0.0415	0.0703
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0014	0.0183	0.0972
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0022	0.0415	0.3455
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.1231	0.6179
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0024	0.0483	0.1772
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0049	0.1231	0.6179
Schistosoma mansoni	hypothetical protein	0.034	1	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0024	0.0483	0.2867
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0035	0.0795	0.4231
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0183	0.0367
Echinococcus granulosus	phospholipase d3	0.0023	0.0453	0.0276
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.0415	1
Schistosoma mansoni	hypothetical protein	0.034	1	1
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0017	0.0257	0.1367
Toxoplasma gondii	type I fatty acid synthase, putative	0.0028	0.0589	0.2412
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0024	0.0483	0.2867
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0024	0.0483	0.2571
Echinococcus granulosus	phospholipase D1	0.0124	0.349	0.3369
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0012	0.0122	0.0649
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0022	0.0415	0.2209
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0014	0.0183	0.0367
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0022	0.0415	0.0237
Mycobacterium ulcerans	hypothetical protein	0.0049	0.1231	0.6179
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0183	0.0367
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0022	0.0415	0.2673
Plasmodium vivax	acyl-CoA synthetase, putative	0.0037	0.0855	1
Plasmodium falciparum	phosphatidylglycerophosphate synthase	0.002	0.0346	0.2434
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0049	0.1231	0.655
Toxoplasma gondii	aldehyde dehydrogenase	0.0071	0.1879	1
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0037	0.0847	0.4509
Loa Loa (eye worm)	TAR-binding protein	0.0144	0.4088	1
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.4088	0.3978
Loa Loa (eye worm)	hypothetical protein	0.0081	0.2185	0.5245
Entamoeba histolytica	phospholipase D active site domain-containing protein	0.0104	0.2891	0.8188
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0014	0.0183	0.0018
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.002	0.0339	0.0924
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0049	0.1231	1
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0183	0.0972
Brugia malayi	RNA recognition motif domain containing protein	0.0144	0.4088	1
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0024	0.0483	0.2571
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0159	0.0185
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0183	0.0972
Schistosoma mansoni	ap endonuclease	0.0022	0.0415	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1231	0.2861
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0017	0.0257	0.1367
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0017	0.0257	0.0438
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0026	0.0529	0.2815
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.002	0.0349	0.1857
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0022	0.0415	0.2673
Schistosoma mansoni	phospholipase D	0.0124	0.349	0.3369
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.0415	1
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0026	0.0529	0.2041
Schistosoma mansoni	ap endonuclease	0.0022	0.0415	0.0237
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0037	0.087	0.1961
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0017	0.0257	0.1367
Entamoeba histolytica	phospholipase D, putative	0.0124	0.349	1
Mycobacterium leprae	Polyketide synthase Pks13	0.0037	0.0847	0.6341
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0183	0.0243
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0026	0.0529	0.3304
Echinococcus multilocularis	geminin	0.034	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.1231	0.6179
Mycobacterium ulcerans	polyketide synthase Pks13	0.0037	0.0847	0.3918
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0024	0.0483	0.1772
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0024	0.0483	0.1108
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0855	0.1924
Loa Loa (eye worm)	oxidoreductase	0.0014	0.0183	0.0243
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0022	0.0415	0.2673
Plasmodium falciparum	mitochondrial cardiolipin synthase, putative	0.002	0.0346	0.2434
Onchocerca volvulus		0.0017	0.0257	0.058
Leishmania major	cardiolipin synthetase, putative	0.002	0.0346	0.0965
Entamoeba histolytica	phospholipase D, putative	0.0124	0.349	1
Onchocerca volvulus		0.0037	0.087	0.5368
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.1231	0.6179
Echinococcus multilocularis	phospholipase D1	0.0124	0.349	0.3369
Toxoplasma gondii	phospholipase D active site domain-containing protein	0.0043	0.1052	0.5137
Toxoplasma gondii	propionate-CoA ligase	0.0014	0.0183	0.0018
Brugia malayi	TAR-binding protein	0.0144	0.4088	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0346	0.0652
Echinococcus multilocularis	phospholipase d3	0.0023	0.0453	0.0276
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0183	0.0243
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0049	0.1231	1
Onchocerca volvulus	Fatty acid synthase homolog	0.0044	0.1074	0.6957
Trypanosoma brucei	cardiolipin synthetase	0.0043	0.1052	1
Mycobacterium ulcerans	polyketide synthase	0.0024	0.0483	0.1772
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0035	0.0795	0.4231
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0071	0.1879	1
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0024	0.046	0.2451
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0049	0.1231	0.655
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0024	0.0483	0.1772
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0855	0.1924
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0049	0.1231	0.6179
Echinococcus multilocularis	tar DNA binding protein	0.0144	0.4088	0.3978
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.001	0.0045	0.0237
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0017	0.0257	0.1367
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0024	0.0483	0.1772
Mycobacterium ulcerans	acyl-CoA synthetase	0.0017	0.0257	0.0438
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.4088	0.3978
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0014	0.0183	0.0972
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0017	0.0257	0.0438
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0035	0.0795	0.4231
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.002	0.0339	0.0924
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.1879	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0855	0.1924
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0018	0.0276	0.1468
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0022	0.0415	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0049	0.1231	0.6179
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.1879	0.1728
Mycobacterium ulcerans	polyketide synthase Pks9	0.0016	0.0234	0.0302
Schistosoma mansoni	CDP-diacylglycerol--glycerol-3-phosphate 3-phosphatidyltransferase	0.002	0.0346	0.0167

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 150 nM	Inhibition of PLD1 in human Calu1 cells	ChEMBL.	19299128
IC50 (binding)	= 200 nM	Inhibition of GFP-labeled PLD2 in human HEK293 cells	ChEMBL.	19299128

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.

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External resources for this compound

ChEMBL: CHEMBL511648

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1010097