Detailed information for compound 984458

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.296 | Formula: C19H21Cl2N3O
  • H donors: 2 H acceptors: 2 LogP: 4.03 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@H](Cc1c[nH]cn1)N)Cc1ccc(cc1)c1ccccc1.Cl.Cl
  • InChi: 1S/C19H19N3O.2ClH/c20-18(11-17-12-21-13-22-17)19(23)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15;;/h1-9,12-13,18H,10-11,20H2,(H,21,22);2*1H/t18-;;/m0../s1
  • InChiKey: XSOBBCNDWXDGBF-NTEVMMBTSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Brassica oleracea var. capitata Histidinol dehydrogenase Starlite/ChEMBL No references
Brucella suis biovar 1 (strain 1330) Histidinol dehydrogenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium leprae Probable histidinol dehydrogenase HisD (HDH) Get druggable targets OG5_129099 All targets in OG5_129099
Candida albicans Phosphoribosyl-AMP cyclohydrolase Get druggable targets OG5_129099 All targets in OG5_129099
Candida albicans Phosphoribosyl-AMP cyclohydrolase Get druggable targets OG5_129099 All targets in OG5_129099
Mycobacterium ulcerans histidinol dehydrogenase Get druggable targets OG5_129099 All targets in OG5_129099
Mycobacterium tuberculosis Probable histidinol dehydrogenase HisD (HDH) Get druggable targets OG5_129099 All targets in OG5_129099

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
Schistosoma mansoni histamine h1 receptor 0.0055 0 0.5
Brugia malayi Serotonin receptor 0.0055 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0055 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0 0.5
Brugia malayi Dopamine receptor protein 2 0.0055 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Echinococcus granulosus hypothetical protein 0.0055 0 0.5
Schistosoma mansoni hypothetical protein 0.0055 0 0.5
Brugia malayi neuropeptide F receptor 0.0055 0 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Brugia malayi G protein-coupled receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0055 0 0.5
Schistosoma mansoni adenoreceptor 0.0055 0 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0055 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0 0.5
Brugia malayi GnHR receptor homolog 0.0055 0 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus g-protein coupled receptor 0.0055 0 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0055 0 0.5
Echinococcus granulosus somatostatin receptor 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Schistosoma mansoni hypothetical protein 0.0055 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0055 0 0.5
Echinococcus granulosus neuropeptide s receptor 0.0055 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0055 0 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0055 0 0.5
Brugia malayi Dopamine receptor protein 1 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Echinococcus granulosus fmrfamide receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Schistosoma mansoni amine GPCR 0.0055 0 0.5
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0055 0 0.5
Schistosoma mansoni opsin-like receptor 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0055 0 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0055 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0055 0 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0055 0 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Schistosoma mansoni opsin-like receptor 0.0055 0 0.5
Mycobacterium tuberculosis Probable histidinol dehydrogenase HisD (HDH) 0.1753 1 0.5
Onchocerca volvulus 0.0055 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0055 0 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0055 0 0.5
Brugia malayi sulfakinin receptor protein 0.0055 0 0.5
Schistosoma mansoni amine GPCR 0.0055 0 0.5
Brugia malayi G-protein coupled receptor 0.0055 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0 0.5
Schistosoma mansoni amine GPCR 0.0055 0 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.0055 0 0.5
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Schistosoma mansoni opsin-like receptor 0.0055 0 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0055 0 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0055 0 0.5
Echinococcus granulosus allatostatin A receptor 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0055 0 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0055 0 0.5
Brugia malayi neuropeptide F receptor 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0055 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0055 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0055 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0055 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0055 0 0.5
Brugia malayi follicle stimulating hormone receptor 0.0055 0 0.5
Brugia malayi Dopamine receptor 0.0055 0 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0055 0 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0055 0 0.5
Brugia malayi Serotonin receptor 0.0055 0 0.5
Brugia malayi RE15519p 0.0055 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0055 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0055 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0055 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0055 0 0.5
Echinococcus multilocularis somatostatin receptor 0.0055 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0055 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0055 0 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0055 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Brugia malayi larval opioid receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0055 0 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0055 0 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0055 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0055 0 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0055 0 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Brugia malayi ORL1-like opioid receptor 0.0055 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0 0.5
Echinococcus multilocularis orexin receptor type 2 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0055 0 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0055 0 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.0055 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0055 0 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0055 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0055 0 0.5
Echinococcus multilocularis allatostatin A receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0055 0 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0055 0 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0055 0 0.5
Brugia malayi Melatonin receptor type 1A 0.0055 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0055 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis serotonin receptor 0.0055 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0055 0 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0055 0 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0055 0 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0055 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0055 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0055 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0055 0 0.5
Echinococcus multilocularis serotonin receptor 0.0055 0 0.5
Echinococcus multilocularis sex peptide receptor 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0055 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0055 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0055 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0055 0 0.5
Echinococcus granulosus serotonin receptor 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Schistosoma mansoni amine GPCR 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Brugia malayi putative neuropeptide receptor 0.0055 0 0.5
Brugia malayi AKH receptor 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0055 0 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0055 0 0.5
Brugia malayi G-protein coupled receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0055 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0055 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0055 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0055 0 0.5
Schistosoma mansoni amine GPCR 0.0055 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Mycobacterium ulcerans histidinol dehydrogenase 0.1753 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0 0.5
Echinococcus granulosus sex peptide receptor 0.0055 0 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0055 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0055 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Schistosoma mansoni hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Schistosoma mansoni hypothetical protein 0.0055 0 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0055 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0055 0 0.5
Schistosoma mansoni myosin xvIII 0.0055 0 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0055 0 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0055 0 0.5
Echinococcus granulosus orexin receptor type 2 0.0055 0 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0055 0 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6 nM Inhibition of Brucella suis histidinol dehydrogenase ChEMBL. 17698620
IC50 (binding) = 12.5 nM Inhibition of Brucella suis histidinol dehydrogenase ChEMBL. 17481905
IC50 (binding) = 0.04 uM Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry ChEMBL. No reference
Ki (binding) = 2.9 nM Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry ChEMBL. No reference
Ratio IC50 (binding) > 1000 Ratio of histidinol IC50 to compound IC50 for Brassica oleracea (cabbage) histidinol dehydrogenase 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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