Detailed information for compound 1971684

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 517.982 | Formula: C28H25ClFN5O2
  • H donors: 1 H acceptors: 4 LogP: 4.27 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#Cc1ccc(cc1)C1(F)CCN(CC1)C(=O)c1ccc(c(c1)NC(=O)c1ccc(nc1)N1CCC1)Cl
  • InChi: 1S/C28H25ClFN5O2/c29-23-8-4-20(16-24(23)33-26(36)21-5-9-25(32-18-21)34-12-1-13-34)27(37)35-14-10-28(30,11-15-35)22-6-2-19(17-31)3-7-22/h2-9,16,18H,1,10-15H2,(H,33,36)
  • InChiKey: ZBRMONDIFYDZBJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Toxoplasma gondii type I fatty acid synthase 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
Neospora caninum KR domain domain-containing protein, putative 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 Pks5 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
Cryptosporidium hominis hypothetical protein 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 ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 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
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
Mycobacterium tuberculosis Polyketide synthase Pks2 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 PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 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
Loa Loa (eye worm) acyl carrier 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
Toxoplasma gondii AMP-binding enzyme domain-containing protein 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
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 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
Toxoplasma gondii type I fatty acid synthase, putative 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 leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 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 tuberculosis Polyketide synthase Pks12 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
Onchocerca volvulus 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
Loa Loa (eye worm) hypothetical 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 Fatty acid synthase homolog 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 leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 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
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 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 Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide 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 leprae Polyketide synthase Pks13 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 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 polyketide synthase 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 ulcerans multifunctional mycocerosic acid synthase membrane-associated 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
Mycobacterium ulcerans 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 ulcerans polyketide synthase Pks9 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
Neospora caninum Short-chain dehydrogenase/reductase SDR, related 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 PpsC 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
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family 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
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.002 0.227 0.2626
Loa Loa (eye worm) acyl carrier protein 0.0014 0.0954 0.1104
Echinococcus multilocularis glycine receptor subunit alpha 1 0.002 0.227 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.002 0.227 0.227
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.4749 0.6337
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.002 0.227 0.227
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.002 0.227 1
Echinococcus granulosus nAChR subunit 0.0011 0.0326 0.1438
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.4749 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.002 0.227 0.2626
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.7474 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.8642 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0326 0.0378
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.002 0.227 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.002 0.227 0.2626
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.002 0.227 1
Onchocerca volvulus 0.0052 0.9024 0.9584
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.2223 0.2941
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.002 0.227 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.002 0.227 1
Onchocerca volvulus Putative nachr subunit 0.002 0.227 0.2411
Onchocerca volvulus 0.002 0.227 0.2411
Echinococcus granulosus glycine receptor subunit alpha 1 0.002 0.227 1
Mycobacterium ulcerans thioesterase TesA 0.0025 0.3307 0.4398
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.3127 0.4155
Loa Loa (eye worm) hypothetical protein 0.0011 0.0326 0.0378
Entamoeba histolytica hypothetical protein 0.0011 0.0326 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.002 0.227 1
Schistosoma mansoni nAChR subunit 0.002 0.227 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0605 0.0765
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0011 0.0326 0.1438
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.7474 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.002 0.227 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0011 0.0326 0.1438
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.3944 0.5254
Loa Loa (eye worm) hypothetical protein 0.0011 0.0326 0.0378
Loa Loa (eye worm) hypothetical protein 0.0011 0.0326 0.0378
Echinococcus multilocularis glycine receptor subunit alpha 1 0.002 0.227 1
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.4165 0.5551
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.002 0.227 0.2626
Onchocerca volvulus 0.002 0.227 0.2411
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.4749 0.6337
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4358 0.581
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0011 0.0326 0.1438
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.2583 0.3424
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.002 0.227 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.3307 0.4398
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.321 0.4267
Loa Loa (eye worm) hypothetical protein 0.0011 0.0326 0.0378
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.4749 0.6337
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4358 0.581
Loa Loa (eye worm) fatty acid synthase 0.003 0.4274 0.4945
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.002 0.227 1
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0223 0.0251
Loa Loa (eye worm) ACC-1 protein 0.002 0.227 0.2626
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.4749 0.6337
Brugia malayi Cation transporter family protein 0.002 0.227 0.227
Loa Loa (eye worm) hypothetical protein 0.0011 0.0326 0.0378
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0011 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.002 0.227 0.227
Schistosoma mansoni nAChR subunit 0.002 0.227 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.4358 0.4358
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.227 0.227
Echinococcus granulosus glycine receptor subunit alpha 1 0.002 0.227 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0326 0.0378
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.4165 0.5551
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Onchocerca volvulus 0.002 0.227 0.2411
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.002 0.227 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.4358 0.581
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.002 0.227 0.227
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.227 0.227
Brugia malayi Cation transporter family protein 0.002 0.227 0.227
Echinococcus multilocularis glycine receptor subunit beta 0.002 0.227 1
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.9415 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.002 0.227 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.002 0.227 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.3944 0.4564
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Loa Loa (eye worm) hypothetical protein 0.0011 0.0326 0.0378
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.7474 1
Brugia malayi Cation transporter family protein 0.002 0.227 0.227
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.227 0.227
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0011 0.0326 0.0326
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.002 0.227 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.002 0.227 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.2542 0.3708
Echinococcus multilocularis nAChR subunit 0.0011 0.0326 0.1438
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4358 0.581
Brugia malayi excitatory GABA receptor EXP-1A 0.002 0.227 0.227
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.227 0.227
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Onchocerca volvulus 0.0011 0.0326 0.0347
Loa Loa (eye worm) GABA receptor subunit 0.0011 0.0326 0.0378
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0011 0.0326 0.0326
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.4358 0.581
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.3307 0.4398
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.002 0.227 0.227
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.4358 0.581
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Loa Loa (eye worm) LGC-31 protein 0.002 0.227 0.2626
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.7474 1
Echinococcus granulosus glycine receptor subunit beta 0.002 0.227 1
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.4749 0.6337
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.002 0.227 0.2626
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.1639 0.2155
Mycobacterium ulcerans polyketide synthase 0.0032 0.4749 0.6337
Onchocerca volvulus 0.002 0.227 0.2411
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.002 0.227 1
Schistosoma mansoni nAChR subunit 0.002 0.227 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.002 0.227 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.3127 0.4155
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4358 0.581
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Mycobacterium ulcerans thioesterase 0.0025 0.3307 0.4398
Onchocerca volvulus 0.002 0.227 0.2411
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0011 0.0326 0.0326
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.002 0.227 0.227
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.002 0.2223 0.2941
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.002 0.227 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.002 0.227 1
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.002 0.227 0.227
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.227 0.227
Brugia malayi AMP-binding enzyme family protein 0.0028 0.3944 0.3944
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.002 0.227 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0326 0.0378
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.002 0.227 0.227
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.002 0.227 0.227
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.002 0.227 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.4749 0.6337
Loa Loa (eye worm) ACC-1 protein 0.002 0.227 0.2626
Onchocerca volvulus 0.0011 0.0326 0.0347
Echinococcus granulosus nAChR subunit 0.002 0.227 1
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.2144 0.2574
Loa Loa (eye worm) hypothetical protein 0.0017 0.1587 0.1836
Echinococcus granulosus glycine receptor subunit beta 0.002 0.227 1
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.227 0.227
Schistosoma mansoni nAChR subunit 0.002 0.227 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.2223 0.2941
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.4749 0.6337
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.002 0.227 0.2626
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.4358 0.581
Schistosoma mansoni nAChR subunit 0.002 0.227 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.002 0.227 1
Schistosoma mansoni nAChR subunit 0.002 0.227 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4358 0.581
Echinococcus multilocularis nAChR subunit 0.002 0.227 1
Schistosoma mansoni nAChR subunit 0.002 0.227 1
Echinococcus multilocularis glycine receptor subunit beta 0.002 0.227 1
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.002 0.227 1
Mycobacterium ulcerans polyketide synthase 0.003 0.4358 0.581
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.002 0.227 1
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.002 0.227 0.227
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.3127 0.4155
Onchocerca volvulus 0.002 0.227 0.2411
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.4749 0.6337
Onchocerca volvulus 0.0028 0.3944 0.4189
Loa Loa (eye worm) hypothetical protein 0.002 0.227 0.2626

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 30 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.