Detailed information for compound 1971655

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 440.537 | Formula: C27H28N4O2
  • H donors: 1 H acceptors: 3 LogP: 3.62 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)C1CCN(CC1)C(=O)c1cc(c(cc1C)C)c1nc2c([nH]1)COCC2
  • InChi: 1S/C27H28N4O2/c1-17-13-18(2)23(14-22(17)26-29-24-9-12-33-16-25(24)30-26)27(32)31-10-7-21(8-11-31)20-5-3-19(15-28)4-6-20/h3-6,13-14,21H,7-12,16H2,1-2H3,(H,29,30)
  • InChiKey: YMCRWSVIXHHZSG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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 fatty acid synthase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii AMP-binding enzyme domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks7 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Fatty acid synthase homolog Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum KR domain domain-containing protein, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks5 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) acyl carrier protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus glycine receptor subunit alpha 1 0.0091 1 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0091 1 1
Mycobacterium ulcerans thioesterase TesA 0.0025 0.1834 0.2064
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.2691 0.481
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0042 0.3919 0.2191
Onchocerca volvulus 0.0091 1 1
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.5466 0.4178
Onchocerca volvulus 0.0091 1 1
Echinococcus multilocularis glycine receptor subunit beta 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.4793 0.4556
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.3919 0.3643
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.4312 1
Loa Loa (eye worm) fatty acid synthase 0.003 0.2409 0.2064
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.2459 0.4065
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.2344 0.5436
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.1834 0.4254
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Echinococcus multilocularis glycine receptor subunit beta 0.0091 1 1
Onchocerca volvulus 0.0049 0.4793 0.3314
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.2691 0.6242
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0091 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0091 1 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.2212 0.1858
Loa Loa (eye worm) hypothetical protein 0.0049 0.4793 0.4556
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.2459 0.5702
Onchocerca volvulus 0.0091 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0091 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.2459 0.4065
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Loa Loa (eye worm) acetylcholine receptor protein 0.0042 0.3919 0.3643
Loa Loa (eye worm) hypothetical protein 0.0042 0.3919 0.3643
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Brugia malayi Cation transporter family protein 0.0091 1 1
Loa Loa (eye worm) ACC-1 protein 0.0091 1 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0091 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0049 0.4793 0.3314
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.2691 0.481
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0042 0.3919 0.2191
Echinococcus granulosus glycine receptor subunit beta 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0811 0.0393
Schistosoma mansoni nAChR subunit 0.0091 1 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.2459 0.0316
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0049 0.4793 0.1438
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0227 0.0527
Onchocerca volvulus 0.0042 0.3919 0.2191
Loa Loa (eye worm) hypothetical protein 0.0051 0.5006 0.4779
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0091 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0091 1 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.2459 0.5702
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.3919 0.3643
Mycobacterium ulcerans thioesterase 0.0025 0.1834 0.2064
Loa Loa (eye worm) hypothetical protein 0.0049 0.4793 0.4556
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.2459 0.5702
Schistosoma mansoni nAChR subunit 0.0091 1 1
Echinococcus multilocularis nAChR subunit 0.0049 0.4793 0.1438
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0091 1 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.2691 1
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Schistosoma mansoni nAChR subunit 0.0091 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0042 0.3919 0.2191
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0042 0.3919 0.2191
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0091 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.2344 0.5436
Loa Loa (eye worm) hypothetical protein 0.0042 0.3919 0.3643
Onchocerca volvulus 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.2691 0.6242
Schistosoma mansoni nAChR subunit 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.3919 0.3643
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0091 1 1
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0042 0.3919 0.2191
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0091 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0091 1 1
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.1142 0.2574
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0091 1 1
Echinococcus granulosus nAChR subunit 0.0049 0.4793 0.1438
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.3919 0.3643
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0091 1 1
Onchocerca volvulus 0.0091 1 1
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.2691 0.481
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.2691 0.481
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0091 1 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0091 1 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0091 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.2691 0.481
Echinococcus granulosus glycine receptor subunit alpha 1 0.0091 1 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0091 1 1
Echinococcus granulosus glycine receptor subunit beta 0.0091 1 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.4312 1
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.3919 0.3643
Onchocerca volvulus 0.0042 0.3919 0.2191
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0091 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0091 1 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.4793 0.4556
Loa Loa (eye worm) hypothetical protein 0.0049 0.4793 0.4556
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.2459 0.4065
Loa Loa (eye worm) GABA receptor subunit 0.0049 0.4793 0.4556
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0091 1 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.1379 0.3708
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0091 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0091 1 1
Schistosoma mansoni nAChR subunit 0.0091 1 1
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.1834 0.2064
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.1403 0.3255
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.2212 0.5131
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.2459 0.4065
Loa Loa (eye worm) hypothetical protein 0.0042 0.3919 0.3643
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.1776 0.4119
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0091 1 1
Brugia malayi hypothetical protein 0.0042 0.3919 0.2191
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.3919 0.3643
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.4312 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.3919 0.3643
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0091 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.1727 0.172
Mycobacterium ulcerans polyketide synthase 0.003 0.2459 0.4065
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.2691 0.6242
Entamoeba histolytica hypothetical protein 0.0049 0.4793 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0049 0.4793 0.3314
Brugia malayi Cation transporter family protein 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0049 0.4793 0.1438
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.5813 0.4624
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0042 0.3919 0.3643
Schistosoma mansoni neurotransmitter gated ion channel 0.0049 0.4793 0.1438
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0049 0.4793 0.3314
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0091 1 1
Onchocerca volvulus 0.0042 0.3919 0.2191
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0091 1 1
Loa Loa (eye worm) ACC-1 protein 0.0091 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.2459 0.4065
Onchocerca volvulus 0.0091 1 1
Mycobacterium ulcerans polyketide synthase 0.0032 0.2691 0.481
Echinococcus granulosus nAChR subunit 0.0091 1 1
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0042 0.3919 0.2191
Loa Loa (eye worm) hypothetical protein 0.0042 0.3919 0.3643
Brugia malayi hypothetical protein 0.0042 0.3919 0.2191
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.0842 0.1953
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0091 1 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0049 0.4793 0.3314
Brugia malayi hypothetical protein 0.0042 0.3919 0.2191
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.4793 0.4556
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Onchocerca volvulus 0.0052 0.5233 0.3879
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0091 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0091 1 1
Onchocerca volvulus Putative nachr subunit 0.0091 1 1
Schistosoma mansoni nAChR subunit 0.0091 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0091 1 1
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.4793 0.4556
Onchocerca volvulus 0.0049 0.4793 0.3314
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0042 0.3919 0.3643
Echinococcus multilocularis nAChR subunit 0.0091 1 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.2459 0.4065
Loa Loa (eye worm) hypothetical protein 0.0049 0.4793 0.4556
Brugia malayi hypothetical protein 0.0042 0.3919 0.2191
Schistosoma mansoni nAChR subunit 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.3919 0.3643
Loa Loa (eye worm) hypothetical protein 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.4793 0.4556
Loa Loa (eye worm) LGC-31 protein 0.0091 1 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0091 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0091 1 1
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.4312 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.3919 0.3643
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.3919 0.3643
Brugia malayi Cation transporter family protein 0.0091 1 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0091 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.1727 0.172
Loa Loa (eye worm) hypothetical protein 0.0042 0.3919 0.3643
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.1727 0.172
Brugia malayi hypothetical protein 0.0042 0.3919 0.2191

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 263 nM BindingDB_Patents: Biochemical Assay. The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FASN comprises about 25% of the cytosolic proteins in this cell line. SKBr3 cells were homogenized in a dounce homogenizer then centrifuged for 15 minutes at 4C. to remove particulate matter. The supernatant was then analyzed for protein content, diluted to the appropriate concentration, and used to measure FASN activity. The presence of FASN was confirmed by western blot analysis. A similar method for isolation of FASN from SKBr3 cells is described in Teresa, P. et al. (Clin. Cancer Res. 2009; 15(24), 7608-7615).FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) released during the fatty acid synthase reaction. The dye CPM (7-diethylamino-3-(4â-maleimidyl-phenyl)-4-methylcoumarin) contains a thiol reactive group that increases its fluorescence emission. 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

Bibliographic References

No literature references available for this target.

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