Detailed information for compound 1971683

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 503.568 | Formula: C28H30FN5O3
  • H donors: 1 H acceptors: 4 LogP: 3.22 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(nc1)C1(F)CCN(CC1)C(=O)c1ccc(c(c1)NC(=O)c1ccc(nc1)N1CCC1)C
  • InChi: 1S/C28H30FN5O3/c1-19-4-5-20(16-23(19)32-26(35)21-6-9-25(31-17-21)33-12-3-13-33)27(36)34-14-10-28(29,11-15-34)24-8-7-22(37-2)18-30-24/h4-9,16-18H,3,10-15H2,1-2H3,(H,32,35)
  • InChiKey: RFHLQRSOEPQTNL-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 PpsA 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 ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 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
Loa Loa (eye worm) hypothetical protein 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
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 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
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 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
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 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
Cryptosporidium hominis hypothetical protein 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 ulcerans polyketide synthase 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
Cryptosporidium parvum polyketide synthase 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 tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase 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 phenolpthiocerol synthesis type-I polyketide synthase PpsC 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
Mycobacterium leprae Polyketide synthase Pks13 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 Probable polyketide synthase Pks1 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
Toxoplasma gondii type I fatty acid synthase 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 tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 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
Cryptosporidium parvum type I fatty acid 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
Mycobacterium ulcerans Type I modular polyketide synthase 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 Probable polyketide synthase Pks5 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 polyketide beta-ketoacyl synthase Pks4 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
Neospora caninum KR domain domain-containing protein, putative 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
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 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 phenolpthiocerol synthesis type-I polyketide synthase PpsA 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 ulcerans polyketide synthase Pks13 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 tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 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, putative 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 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
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 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 hominis hypothetical protein 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 synthase Pks8 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
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
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.1748 0.4155
Loa Loa (eye worm) hypothetical protein 0.0043 0.401 0.3682
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.221 0.1784
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0094 1 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0094 1 1
Loa Loa (eye worm) ACC-1 protein 0.0094 1 1
Loa Loa (eye worm) acetylcholine receptor protein 0.0043 0.401 0.3682
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.4207 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0043 0.401 0.3682
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0094 1 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0094 1 1
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.5305 0.3973
Onchocerca volvulus 0.0094 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Brugia malayi Cation transporter family protein 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.4871 0.459
Onchocerca volvulus 0.0094 1 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0094 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0094 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.0907 0.2155
Loa Loa (eye worm) fatty acid synthase 0.003 0.2397 0.1981
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.401 0.3682
Onchocerca volvulus 0.0051 0.4871 0.3415
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.5636 0.4397
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.401 0.3682
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.401 0.3682
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0094 1 1
Echinococcus multilocularis glycine receptor subunit beta 0.0094 1 1
Mycobacterium ulcerans polyketide synthase 0.003 0.2445 0.581
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0094 1 1
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.2666 0.6337
Entamoeba histolytica hypothetical protein 0.0051 0.4871 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0043 0.401 0.231
Loa Loa (eye worm) hypothetical protein 0.0043 0.401 0.3682
Loa Loa (eye worm) hypothetical protein 0.0051 0.4871 0.459
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0094 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.2445 0.581
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.4207 1
Onchocerca volvulus 0.0051 0.4871 0.3415
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0094 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Mycobacterium ulcerans polyketide synthase 0.0032 0.2666 0.6337
Loa Loa (eye worm) hypothetical protein 0.0051 0.4871 0.459
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.221 0.5254
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0043 0.401 0.231
Loa Loa (eye worm) hypothetical protein 0.0043 0.401 0.3682
Onchocerca volvulus 0.0094 1 1
Echinococcus granulosus glycine receptor subunit beta 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.401 0.3682
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.185 0.4398
Loa Loa (eye worm) hypothetical protein 0.0043 0.401 0.3682
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0094 1 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0094 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.2666 0.6337
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0094 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0094 1 1
Schistosoma mansoni nAChR subunit 0.0094 1 1
Schistosoma mansoni nAChR subunit 0.0094 1 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0094 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.1795 0.4267
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0094 1 1
Brugia malayi Cation transporter family protein 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Loa Loa (eye worm) LGC-31 protein 0.0094 1 1
Onchocerca volvulus Putative nachr subunit 0.0094 1 1
Brugia malayi hypothetical protein 0.0043 0.401 0.231
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0322 0.0765
Schistosoma mansoni nAChR subunit 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.401 0.3682
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0094 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0051 0.4871 0.3415
Schistosoma mansoni nAChR subunit 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.4871 0.459
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.4871 0.459
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.401 0.3682
Echinococcus granulosus glycine receptor subunit alpha 1 0.0094 1 1
Schistosoma mansoni nAChR subunit 0.0094 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.2666 0.6337
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0094 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0094 1 1
Brugia malayi Cation transporter family protein 0.0094 1 1
Onchocerca volvulus 0.0043 0.401 0.231
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0043 0.401 0.231
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0043 0.401 0.231
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.002 0.1237 0.2941
Loa Loa (eye worm) hypothetical protein 0.0043 0.401 0.3682
Loa Loa (eye worm) hypothetical protein 0.0051 0.4871 0.459
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.2445 0.581
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0051 0.4871 0.1437
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.2445 0.581
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.4868 0.4587
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.2335 0.5551
Loa Loa (eye worm) hypothetical protein 0.0051 0.4871 0.459
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.185 0.4398
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0094 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0094 1 1
Onchocerca volvulus 0.0094 1 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0094 1 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0094 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0051 0.4871 0.3415
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.4207 1
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Brugia malayi hypothetical protein 0.0043 0.401 0.231
Echinococcus granulosus nAChR subunit 0.0051 0.4871 0.1437
Mycobacterium ulcerans thioesterase 0.0025 0.185 0.4398
Loa Loa (eye worm) GABA receptor subunit 0.0051 0.4871 0.459
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.4871 0.459
Onchocerca volvulus 0.0043 0.401 0.231
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.1237 0.2941
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0094 1 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0051 0.4871 0.3415
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0051 0.4871 0.3415
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.2335 0.5551
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.2666 0.6337
Loa Loa (eye worm) ACC-1 protein 0.0094 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0043 0.401 0.231
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0094 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.1441 0.3424
Loa Loa (eye worm) hypothetical protein 0.0043 0.401 0.3682
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.2666 0.6337
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.1748 0.4155
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.2445 0.581
Schistosoma mansoni neurotransmitter gated ion channel 0.0051 0.4871 0.1437
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0094 1 1
Onchocerca volvulus 0.0052 0.5084 0.3689
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.1418 0.3708
Brugia malayi hypothetical protein 0.0043 0.401 0.231
Schistosoma mansoni nAChR subunit 0.0094 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0094 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0094 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0094 1 1
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0106 0.0251
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0043 0.401 0.3682
Schistosoma mansoni nAChR subunit 0.0094 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.1748 0.4155
Echinococcus multilocularis glycine receptor subunit beta 0.0094 1 1
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.1193 0.2574
Echinococcus multilocularis nAChR subunit 0.0051 0.4871 0.1437
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.2666 0.6337
Echinococcus granulosus glycine receptor subunit beta 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0094 1 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.2666 0.6337
Echinococcus granulosus glycine receptor subunit alpha 1 0.0094 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.1237 0.2941
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.2445 0.581
Onchocerca volvulus 0.0094 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.2445 0.581
Loa Loa (eye worm) hypothetical protein 0.0043 0.401 0.3682
Brugia malayi hypothetical protein 0.0043 0.401 0.231
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0094 1 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.2445 0.581
Onchocerca volvulus 0.0094 1 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0094 1 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.4871 0.459
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.2445 0.581
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.2666 0.6337
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.2445 0.581
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.2445 0.0301
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0094 1 1
Mycobacterium ulcerans thioesterase TesA 0.0025 0.185 0.4398
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.4207 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.401 0.3682
Loa Loa (eye worm) hypothetical protein 0.0043 0.401 0.3682
Brugia malayi hypothetical protein 0.0043 0.401 0.231
Echinococcus multilocularis nAChR subunit 0.0094 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0043 0.401 0.231
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0094 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0094 1 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Echinococcus granulosus nAChR subunit 0.0094 1 1
Onchocerca volvulus 0.0043 0.401 0.231
Loa Loa (eye worm) hypothetical protein 0.0017 0.0877 0.0378
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.2666 1
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0094 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0051 0.4871 0.1437

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2800 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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