Detailed information for compound 305087

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 500.42 | Formula: C25H27Cl2N5O2
  • H donors: 2 H acceptors: 3 LogP: 4.54 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN(Cc1ccc(cc1)C(=O)Nc1ccc(cc1C(=O)Nc1ccc(cn1)Cl)Cl)CCN(C)C
  • InChi: 1S/C25H27Cl2N5O2/c1-31(2)12-13-32(3)16-17-4-6-18(7-5-17)24(33)29-22-10-8-19(26)14-21(22)25(34)30-23-11-9-20(27)15-28-23/h4-11,14-15H,12-13,16H2,1-3H3,(H,29,33)(H,28,30,34)
  • InChiKey: XUUKJPBPIUZXMS-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 plasminogen activator, tissue Starlite/ChEMBL References
Homo sapiens coagulation factor X Starlite/ChEMBL References
Homo sapiens protease, serine, 1 (trypsin 1) Starlite/ChEMBL References
Homo sapiens coagulation factor II (thrombin) Starlite/ChEMBL References
Homo sapiens plasminogen Starlite/ChEMBL References
Homo sapiens protein C (inactivator of coagulation factors Va and VIIIa) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus Mastin Get druggable targets OG5_136757 All targets in OG5_136757
Echinococcus multilocularis Mastin Get druggable targets OG5_136757 All targets in OG5_136757
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Echinococcus multilocularis enteropeptidase Get druggable targets OG5_136757 All targets in OG5_136757
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Echinococcus granulosus enteropeptidase Get druggable targets OG5_136757 All targets in OG5_136757
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Echinococcus multilocularis glycoprotein Antigen 5 Get druggable targets OG5_136757 All targets in OG5_136757
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Brugia malayi Trypsin family protein Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Echinococcus granulosus glycoprotein Antigen 5 Get druggable targets OG5_136757 All targets in OG5_136757
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_136757 All targets in OG5_136757
Schistosoma japonicum ko:K01346 pancreatic elastase II [EC3.4.21.71], putative Get druggable targets OG5_136757 All targets in OG5_136757
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Trypsin family protein protease, serine, 1 (trypsin 1) 247 aa 287 aa 21.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0032 0.003 0.0019
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0033 0.3633
Echinococcus granulosus tissue type plasminogen activator 0.0335 0.1569 1
Onchocerca volvulus 0.0106 0.0407 0.2294
Onchocerca volvulus 0.0077 0.0259 0.1438
Brugia malayi Thioredoxin reductase 0.0046 0.0102 0.009
Schistosoma mansoni nAChR subunit 0.0077 0.0259 0.1438
Loa Loa (eye worm) hypothetical protein 0.009 0.0325 0.0314
Echinococcus multilocularis transmembrane protease serine 3 0.0085 0.0301 0.1854
Onchocerca volvulus 0.0106 0.0407 0.2294
Loa Loa (eye worm) hypothetical protein 0.0168 0.0718 0.0707
Onchocerca volvulus 0.0085 0.0301 0.1678
Brugia malayi hypothetical protein 0.0077 0.0259 0.0248
Loa Loa (eye worm) hypothetical protein 0.009 0.0325 0.0314
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0168 0.0718 0.0707
Toxoplasma gondii PAN domain-containing protein 0.0106 0.0407 0.0809
Onchocerca volvulus 0.0335 0.1569 0.9051
Echinococcus multilocularis nAChR subunit 0.0168 0.0718 0.4534
Toxoplasma gondii microneme protein, putative 0.0106 0.0407 0.0809
Schistosoma mansoni nAChR subunit 0.0077 0.0259 0.1438
Loa Loa (eye worm) hypothetical protein 0.0168 0.0718 0.0707
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0168 0.0718 0.4534
Loa Loa (eye worm) hypothetical protein 0.0085 0.0301 0.0289
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0168 0.0718 0.0707
Onchocerca volvulus 0.0106 0.0407 0.2294
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0077 0.0259 0.0248
Schistosoma mansoni nAChR subunit 0.0168 0.0718 0.4103
Onchocerca volvulus 0.0282 0.1299 0.7477
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.0403 0.8342
Echinococcus multilocularis glycoprotein Antigen 5 0.0131 0.0534 0.3351
Echinococcus granulosus glycoprotein Antigen 5 0.0131 0.0534 0.3351
Toxoplasma gondii kringle domain-containing protein 0.0335 0.1569 0.319
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0016 0.182
Loa Loa (eye worm) trypsin family protein 0.0085 0.0301 0.0289
Loa Loa (eye worm) hypothetical protein 0.0168 0.0718 0.0707
Echinococcus multilocularis Tolloid protein 1 0.0032 0.003 0.0119
Loa Loa (eye worm) hypothetical protein 0.0168 0.0718 0.0707
Brugia malayi hypothetical protein 0.0077 0.0259 0.0248
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.009 0.0325 0.0314
Loa Loa (eye worm) hypothetical protein 0.1994 1 1
Loa Loa (eye worm) glutathione reductase 0.0046 0.0102 0.009
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0085 0.0301 0.0289
Onchocerca volvulus 0.0168 0.0718 0.4103
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0102 0.0375
Brugia malayi Calcium binding EGF domain containing protein 0.0032 0.003 0.0019
Toxoplasma gondii PAN domain-containing protein 0.0989 0.4894 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0077 0.0259 0.1588
Loa Loa (eye worm) hypothetical protein 0.0077 0.0259 0.0248
Loa Loa (eye worm) hypothetical protein 0.0367 0.1733 0.1723
Echinococcus granulosus Mastin 0.0131 0.0534 0.3351
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0168 0.0718 0.4103
Loa Loa (eye worm) hypothetical protein 0.0085 0.0301 0.0289
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0168 0.0718 0.4534
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0033 0.3633
Loa Loa (eye worm) hypothetical protein 0.0077 0.0259 0.0248
Toxoplasma gondii thioredoxin reductase 0.0046 0.0102 0.0184
Echinococcus granulosus glycine receptor subunit beta 0.0168 0.0718 0.4534
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0085 0.0301 0.1854
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.009 0.0325 0.0314
Loa Loa (eye worm) hypothetical protein 0.0106 0.0407 0.0395
Toxoplasma gondii microneme protein MIC17A 0.0106 0.0407 0.0809
Loa Loa (eye worm) hypothetical protein 0.0106 0.0407 0.0395
Loa Loa (eye worm) hypothetical protein 0.009 0.0325 0.0314
Echinococcus granulosus glycine receptor subunit alpha 1 0.0168 0.0718 0.4534
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0131 0.0534 0.3034
Onchocerca volvulus 0.0077 0.0259 0.1438
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0168 0.0718 0.4534
Loa Loa (eye worm) hypothetical protein 0.0077 0.0259 0.0248
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.009 0.0325 0.0314
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0168 0.0718 0.0707
Loa Loa (eye worm) hypothetical protein 0.0032 0.003 0.0019
Echinococcus multilocularis Mastin 0.0131 0.0534 0.3351
Loa Loa (eye worm) hypothetical protein 0.0504 0.2426 0.2417
Loa Loa (eye worm) hypothetical protein 0.0106 0.0407 0.0395
Onchocerca volvulus 0.0106 0.0407 0.2294
Brugia malayi PAN domain containing protein 0.0106 0.0407 0.0395
Echinococcus granulosus glycine receptor subunit alpha 1 0.0168 0.0718 0.4534
Loa Loa (eye worm) PAN domain-containing protein 0.0106 0.0407 0.0395
Schistosoma mansoni cercarial elastase (S01 family) 0.0085 0.0301 0.1678
Onchocerca volvulus 0.0168 0.0718 0.4103
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0077 0.0259 0.0248
Onchocerca volvulus 0.0106 0.0407 0.2294
Loa Loa (eye worm) hypothetical protein 0.0168 0.0718 0.0707
Leishmania major hypothetical protein, conserved 0.0335 0.1569 1
Brugia malayi hypothetical protein 0.0077 0.0259 0.0248
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.0403 0.8342
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0102 0.009
Echinococcus granulosus glycine receptor subunit alpha 1 0.0168 0.0718 0.4534
Brugia malayi PAN domain containing protein 0.0106 0.0407 0.0395
Trypanosoma cruzi hypothetical protein, conserved 0.0335 0.1569 1
Echinococcus granulosus transmembrane protease serine 3 0.0085 0.0301 0.1854
Loa Loa (eye worm) hypothetical protein 0.0168 0.0718 0.0707
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.009 1
Toxoplasma gondii hypothetical protein 0.0106 0.0407 0.0809
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0044 0.009 0.0299
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0168 0.0718 0.4103
Brugia malayi Cation transporter family protein 0.0168 0.0718 0.0707
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0044 0.009 0.7961
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0044 0.4916
Brugia malayi Fibulin-1 precursor 0.0032 0.003 0.0019
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0168 0.0718 0.0707
Onchocerca volvulus 0.0106 0.0407 0.2294
Loa Loa (eye worm) hypothetical protein 0.0168 0.0718 0.0707
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0168 0.0718 0.0707
Schistosoma mansoni cercarial elastase (S01 family) 0.0085 0.0301 0.1678
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0168 0.0718 0.4534
Schistosoma mansoni cercarial elastase (S01 family) 0.0085 0.0301 0.1678
Schistosoma mansoni thyroid hormone receptor 0.0133 0.0543 0.3086
Schistosoma mansoni nAChR subunit 0.0168 0.0718 0.4103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0033 0.3633
Loa Loa (eye worm) hypothetical protein 0.0077 0.0259 0.0248
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0085 0.0301 0.1854
Loa Loa (eye worm) hypothetical protein 0.0077 0.0259 0.0248
Brugia malayi Trypsin family protein 0.0085 0.0301 0.0289
Brugia malayi PAN domain containing protein 0.0106 0.0407 0.0395
Brugia malayi Trypsin-like protease protein 5 0.0085 0.0301 0.0289
Toxoplasma gondii hypothetical protein 0.0106 0.0407 0.0809
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0102 0.0577
Brugia malayi Cation transporter family protein 0.0168 0.0718 0.0707
Schistosoma mansoni nAChR subunit 0.0168 0.0718 0.4103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0033 0.3633
Schistosoma mansoni hypothetical protein 0.0085 0.0301 0.1678
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0168 0.0718 0.4534
Brugia malayi Trypsin family protein 0.0367 0.1733 0.1723
Loa Loa (eye worm) hypothetical protein 0.0168 0.0718 0.0707
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0085 0.0301 0.1678
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0168 0.0718 0.4534
Loa Loa (eye worm) hypothetical protein 0.0085 0.0301 0.0289
Onchocerca volvulus 0.009 0.0325 0.1821
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0168 0.0718 0.0707
Entamoeba histolytica hypothetical protein 0.009 0.0325 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0077 0.0259 0.0248
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0044 0.009 0.0299
Schistosoma mansoni cercarial elastase (S01 family) 0.0085 0.0301 0.1678
Schistosoma mansoni hypothetical protein 0.0188 0.0824 0.472
Onchocerca volvulus 0.0106 0.0407 0.2294
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.0403 0.8342
Loa Loa (eye worm) hypothetical protein 0.0077 0.0259 0.0248
Toxoplasma gondii calcium binding egf domain-containing protein 0.0032 0.003 0.0038
Loa Loa (eye worm) PAN domain-containing protein 0.0106 0.0407 0.0395
Onchocerca volvulus 0.0106 0.0407 0.2294
Toxoplasma gondii subtilisin SUB12 0.0106 0.0407 0.0809
Loa Loa (eye worm) hypothetical protein 0.0168 0.0718 0.0707
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0168 0.0718 0.4534
Loa Loa (eye worm) hypothetical protein 0.009 0.0325 0.0314
Brugia malayi hypothetical protein 0.0077 0.0259 0.0248
Loa Loa (eye worm) hypothetical protein 0.009 0.0325 0.0314
Echinococcus granulosus nAChR subunit 0.0168 0.0718 0.4534
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0168 0.0718 0.4103
Schistosoma mansoni cercarial elastase (S01 family) 0.0085 0.0301 0.1678
Onchocerca volvulus Arrow homolog 0.0032 0.003 0.0108
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0168 0.0718 0.4534
Echinococcus multilocularis nAChR subunit 0.009 0.0325 0.2012
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0367 0.1733 1
Schistosoma mansoni egf-like domain protein 0.0032 0.003 0.0108
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0085 0.0301 0.1854
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0032 0.003 0.0019
Brugia malayi PAN domain containing protein 0.0106 0.0407 0.0395
Loa Loa (eye worm) hypothetical protein 0.0168 0.0718 0.0707
Brugia malayi PAN domain containing protein 0.0106 0.0407 0.0395
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0168 0.0718 0.4534
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.009 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0168 0.0718 0.0707
Loa Loa (eye worm) hypothetical protein 0.0077 0.0259 0.0248
Echinococcus multilocularis glycine receptor subunit beta 0.0168 0.0718 0.4534
Mycobacterium tuberculosis Probable reductase 0.0106 0.0403 0.8342
Loa Loa (eye worm) hypothetical protein 0.0077 0.0259 0.0248
Loa Loa (eye worm) hypothetical protein 0.0032 0.003 0.0019
Loa Loa (eye worm) hypothetical protein 0.0168 0.0718 0.0707
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0168 0.0718 0.0707
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0168 0.0718 0.0707
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0168 0.0718 0.0707
Loa Loa (eye worm) hypothetical protein 0.0106 0.0407 0.0395
Loa Loa (eye worm) hypothetical protein 0.009 0.0325 0.0314
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0168 0.0718 0.0707
Schistosoma mansoni cercarial elastase (S01 family) 0.0085 0.0301 0.1678
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0168 0.0718 0.0707
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0168 0.0718 0.4534
Echinococcus multilocularis enteropeptidase 0.0131 0.0534 0.3351
Toxoplasma gondii microneme protein MIC17B 0.0106 0.0407 0.0809
Loa Loa (eye worm) hypothetical protein 0.0168 0.0718 0.0707
Schistosoma mansoni cercarial elastase (S01 family) 0.0085 0.0301 0.1678
Toxoplasma gondii target of rapamycin (TOR), putative 0.0033 0.0033 0.0043
Loa Loa (eye worm) TK/ROR protein kinase 0.0335 0.1569 0.1559
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.009 0.0325 0.1821
Brugia malayi hypothetical protein 0.0085 0.0301 0.0289
Schistosoma mansoni hypothetical protein 0.0188 0.0824 0.472
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0102 0.0577
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0168 0.0718 0.0707
Loa Loa (eye worm) hypothetical protein 0.0168 0.0718 0.0707
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0168 0.0718 0.0707
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0168 0.0718 0.4534
Schistosoma mansoni cercarial elastase (S01 family) 0.0085 0.0301 0.1678
Echinococcus granulosus enteropeptidase 0.0131 0.0534 0.3351
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.009 0.0325 0.0314
Brugia malayi Trypsin family protein 0.0085 0.0301 0.0289
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0077 0.0259 0.1588
Toxoplasma gondii PAN domain-containing protein 0.0106 0.0407 0.0809
Onchocerca volvulus Putative nachr subunit 0.0168 0.0718 0.4103
Schistosoma mansoni acetylcholine receptor-related 0.0077 0.0259 0.1438
Toxoplasma gondii PAN/Apple domain-containing protein 0.0106 0.0407 0.0809
Schistosoma mansoni acetylcholine receptor subunit beta 0.0077 0.0259 0.1438
Brugia malayi PAN domain containing protein 0.0106 0.0407 0.0395
Schistosoma mansoni nAChR subunit 0.0168 0.0718 0.4103
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0168 0.0718 0.0707
Loa Loa (eye worm) phosphatidylinositol 3 0.0044 0.009 0.0078
Toxoplasma gondii PAN domain-containing protein 0.0989 0.4894 1
Loa Loa (eye worm) ACC-1 protein 0.0168 0.0718 0.0707
Onchocerca volvulus 0.0085 0.0301 0.1678
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0168 0.0718 0.4534
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0085 0.0301 0.1854
Loa Loa (eye worm) hypothetical protein 0.0168 0.0718 0.0707
Onchocerca volvulus 0.0085 0.0301 0.1678
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0168 0.0718 0.4534
Giardia lamblia GTOR 0.0044 0.009 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0012 0.1283
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0077 0.0259 0.0248
Echinococcus granulosus glycine receptor subunit beta 0.0168 0.0718 0.4534
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0077 0.0259 0.0248
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0085 0.0301 0.1678
Brugia malayi Trypsin family protein 0.0085 0.0301 0.0289
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.0403 0.8342
Schistosoma mansoni thyroid hormone receptor 0.0133 0.0543 0.3086
Schistosoma mansoni cercarial elastase (S01 family) 0.0085 0.0301 0.1678
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0032 0.003 0.0108
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.0493 0.3087
Schistosoma mansoni neurotransmitter gated ion channel 0.0077 0.0259 0.1438
Loa Loa (eye worm) hypothetical protein 0.0168 0.0718 0.0707
Loa Loa (eye worm) hypothetical protein 0.0077 0.0259 0.0248
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0077 0.0259 0.1588
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0044 0.4916
Loa Loa (eye worm) hypothetical protein 0.0077 0.0259 0.0248
Onchocerca volvulus 0.009 0.0325 0.1821
Brugia malayi Cation transporter family protein 0.0168 0.0718 0.0707
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0168 0.0718 0.0707
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0168 0.0718 0.4103
Schistosoma mansoni cercarial elastase (S01 family) 0.0085 0.0301 0.1678
Onchocerca volvulus 0.0168 0.0718 0.4103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0044 0.4916
Loa Loa (eye worm) hypothetical protein 0.0085 0.0301 0.0289
Schistosoma mansoni neurotransmitter gated ion channel 0.0077 0.0259 0.1438
Loa Loa (eye worm) LGC-31 protein 0.0168 0.0718 0.0707
Loa Loa (eye worm) hypothetical protein 0.0077 0.0259 0.0248
Loa Loa (eye worm) ACC-1 protein 0.0168 0.0718 0.0707
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0032 0.003 0.0019
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.009 0.0325 0.1821
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0168 0.0718 0.4534
Brugia malayi Kringle domain containing protein 0.0335 0.1569 0.1559
Loa Loa (eye worm) PAN domain-containing protein 0.0106 0.0407 0.0395
Echinococcus granulosus Tolloid protein 1 0.0032 0.003 0.0119
Echinococcus multilocularis geminin 0.0188 0.0824 0.5215
Onchocerca volvulus 0.0168 0.0718 0.4103
Loa Loa (eye worm) hypothetical protein 0.0168 0.0718 0.0707
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0044 0.009 0.0299
Schistosoma mansoni nAChR subunit 0.0168 0.0718 0.4103
Onchocerca volvulus 0.0168 0.0718 0.4103
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0044 0.009 0.0502
Brugia malayi PAN domain containing protein 0.0106 0.0407 0.0395
Loa Loa (eye worm) hypothetical protein 0.0106 0.0407 0.0395
Schistosoma mansoni hypothetical protein 0.0335 0.1569 0.9051
Loa Loa (eye worm) PAN domain-containing protein 0.0106 0.0407 0.0395
Onchocerca volvulus 0.0106 0.0407 0.2294
Onchocerca volvulus 0.0085 0.0301 0.1678
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.0403 0.8342
Echinococcus multilocularis laminin 0.0032 0.003 0.0119
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.0463 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0367 0.1733 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.0463 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0168 0.0718 0.4103
Loa Loa (eye worm) hypothetical protein 0.0077 0.0259 0.0248
Onchocerca volvulus 0.0168 0.0718 0.4103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0033 0.3633
Loa Loa (eye worm) hypothetical protein 0.0367 0.1733 0.1723
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0106 0.0407 0.0809
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0077 0.0259 0.1588
Loa Loa (eye worm) GABA receptor subunit 0.009 0.0325 0.0314
Echinococcus granulosus nAChR subunit 0.009 0.0325 0.2012
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0168 0.0718 0.0707
Trypanosoma brucei trypanothione reductase 0.0046 0.0102 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0168 0.0718 0.4103
Toxoplasma gondii microneme protein MIC17C 0.0106 0.0407 0.0809
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0044 0.4916
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.009 0.0078
Loa Loa (eye worm) hypothetical protein 0.0085 0.0301 0.0289
Loa Loa (eye worm) hypothetical protein 0.0106 0.0407 0.0395
Loa Loa (eye worm) hypothetical protein 0.0077 0.0259 0.0248
Mycobacterium ulcerans hypothetical protein 0.0085 0.0301 0.5
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0032 0.003 0.0019
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0168 0.0718 0.0707
Loa Loa (eye worm) hypothetical protein 0.009 0.0325 0.0314
Loa Loa (eye worm) hypothetical protein 0.009 0.0325 0.0314
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0077 0.0259 0.0248
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0085 0.0301 0.1678
Brugia malayi PAN domain containing protein 0.0106 0.0407 0.0395
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0057 0.6367
Leishmania major trypanothione reductase 0.0046 0.0102 0.0375
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0033 0.3633
Brugia malayi glutathione reductase 0.0046 0.0102 0.009
Echinococcus multilocularis tissue type plasminogen activator 0.0335 0.1569 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0259 0.0248
Schistosoma mansoni cercarial elastase (S01 family) 0.0085 0.0301 0.1678
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0168 0.0718 0.4534
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.0463 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0168 0.0718 0.0707
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0033 0.3633
Loa Loa (eye worm) acetylcholine receptor protein 0.0077 0.0259 0.0248
Loa Loa (eye worm) hypothetical protein 0.1917 0.9607 0.9607
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0077 0.0259 0.0248
Loa Loa (eye worm) hypothetical protein 0.0106 0.0407 0.0395
Schistosoma mansoni hypothetical protein 0.0123 0.0493 0.2794
Onchocerca volvulus 0.0106 0.0407 0.2294
Schistosoma mansoni nAChR subunit 0.0168 0.0718 0.4103
Loa Loa (eye worm) hypothetical protein 0.0077 0.0259 0.0248
Brugia malayi PAN domain containing protein 0.0106 0.0407 0.0395
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0168 0.0718 0.4534
Loa Loa (eye worm) hypothetical protein 0.0335 0.1569 0.1559
Onchocerca volvulus 0.0085 0.0301 0.1678
Schistosoma mansoni hypothetical protein 0.0085 0.0301 0.1678
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0044 0.009 0.0299
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0168 0.0718 0.0707
Brugia malayi excitatory GABA receptor EXP-1A 0.0168 0.0718 0.0707
Toxoplasma gondii microneme protein MIC4 0.0106 0.0407 0.0809
Loa Loa (eye worm) hypothetical protein 0.0032 0.003 0.0019
Loa Loa (eye worm) hypothetical protein 0.0032 0.003 0.0019
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0044 0.009 0.7961
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.0463 1
Toxoplasma gondii PAN domain-containing protein 0.0106 0.0407 0.0809
Plasmodium falciparum cysteine repeat modular protein 1 0.0335 0.1569 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.0493 0.3087
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0168 0.0718 0.0707
Echinococcus multilocularis glycine receptor subunit beta 0.0168 0.0718 0.4534
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0044 0.009 0.0502
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0044 0.4916
Schistosoma mansoni nAChR subunit 0.0168 0.0718 0.4103
Onchocerca volvulus 0.0106 0.0407 0.2294
Loa Loa (eye worm) hypothetical protein 0.0168 0.0718 0.0707
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0168 0.0718 0.4534
Echinococcus multilocularis fibrillin 1 0.0032 0.003 0.0119
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0077 0.0259 0.1588
Brugia malayi hypothetical protein 0.0077 0.0259 0.0248
Brugia malayi Protein kinase domain containing protein 0.0335 0.1569 0.1559
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0085 0.0301 0.1678
Brugia malayi PAN domain containing protein 0.0106 0.0407 0.0395
Echinococcus granulosus laminin 0.0032 0.003 0.0119
Schistosoma mansoni neurotransmitter gated ion channel 0.009 0.0325 0.1821
Echinococcus granulosus geminin 0.0188 0.0824 0.5215
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0335 0.1569 1
Onchocerca volvulus 0.0077 0.0259 0.1438
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0077 0.0259 0.0248
Toxoplasma gondii PAN domain-containing protein 0.0106 0.0407 0.0809
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0168 0.0718 0.4534
Toxoplasma gondii calcium binding egf domain-containing protein 0.0032 0.003 0.0038
Loa Loa (eye worm) PAN domain-containing protein 0.0106 0.0407 0.0395
Echinococcus multilocularis thyroid hormone receptor alpha 0.0133 0.0543 0.3409
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.009 1
Onchocerca volvulus 0.0367 0.1733 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.003 0.0019
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0085 0.0301 0.1678
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0044 0.009 0.0454

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.9 nM In vitro inhibitory activity against coagulation factor X. ChEMBL. 15013007
IC50 (binding) = 6.9 nM In vitro inhibitory activity against coagulation factor X. ChEMBL. 15013007
IC50 (binding) > 11 uM Inhibitory activity against thrombin. ChEMBL. 15013007
IC50 (binding) > 11 uM Inhibitory activity against tissue type plasminogen activator. ChEMBL. 15013007
IC50 (binding) > 11 uM Inhibitory activity against trypsin. ChEMBL. 15013007
IC50 (binding) > 11 uM Inhibitory activity against activated protein C ChEMBL. 15013007
IC50 (binding) > 11 uM Inhibitory activity against plasmin. ChEMBL. 15013007
IC50 (binding) > 11 uM Inhibitory activity against thrombin. ChEMBL. 15013007
IC50 (binding) > 11 uM Inhibitory activity against tissue type plasminogen activator. ChEMBL. 15013007
IC50 (binding) > 11 uM Inhibitory activity against trypsin. ChEMBL. 15013007
IC50 (binding) > 11 uM Inhibitory activity against activated protein C ChEMBL. 15013007
IC50 (binding) > 11 uM Inhibitory activity against plasmin. ChEMBL. 15013007

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

1 literature reference was collected for this gene.

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