Detailed information for compound 505723

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 395.495 | Formula: C23H29N3O3
  • H donors: 3 H acceptors: 3 LogP: 1.67 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)[C@H]1CC2(CN[C@@H]1C(=O)N1CCC(=CC1)c1cccc(c1)C1CC1)CC2
  • InChi: 1S/C23H29N3O3/c27-21(25-29)19-13-23(8-9-23)14-24-20(19)22(28)26-10-6-16(7-11-26)18-3-1-2-17(12-18)15-4-5-15/h1-3,6,12,15,19-20,24,29H,4-5,7-11,13-14H2,(H,25,27)/t19-,20-/m0/s1
  • InChiKey: UCFPOZCPIVOGIJ-PMACEKPBSA-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 ADAM metallopeptidase domain 10 Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 2 (gelatinase A, 72kDa gelatinase, 72kDa type IV collagenase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04712 fatty acid desaturase, putative Get druggable targets OG5_131201 All targets in OG5_131201
Brugia malayi Disintegrin family protein Get druggable targets OG5_131201 All targets in OG5_131201
Echinococcus granulosus disintegrin and metalloproteinase Get druggable targets OG5_131201 All targets in OG5_131201
Schistosoma mansoni dihydroceramide desaturase Get druggable targets OG5_131201 All targets in OG5_131201
Loa Loa (eye worm) disintegrin family protein Get druggable targets OG5_131201 All targets in OG5_131201
Echinococcus multilocularis disintegrin and metalloproteinase Get druggable targets OG5_131201 All targets in OG5_131201
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) nuclear hormone receptor family member nhr-1 0.0081 0.0725 0.1607
Brugia malayi Cytochrome P450 family protein 0.0029 0.0049 0.0094
Brugia malayi Matrixin family protein 0.0095 0.0903 0.1991
Brugia malayi sodium-independent organic anion transporter family protein 0.0054 0.0369 0.0806
Schistosoma mansoni zinc finger protein 0.0038 0.0166 0.0184
Loa Loa (eye worm) carboxylesterase 0.0039 0.0175 0.0388
Loa Loa (eye worm) hypothetical protein 0.0081 0.0725 0.1607
Onchocerca volvulus 0.0134 0.142 0.5289
Loa Loa (eye worm) cytochrome P450 family protein 0.0038 0.0163 0.0362
Brugia malayi Matrixin family protein 0.0229 0.2657 0.5885
Loa Loa (eye worm) hypothetical protein 0.0038 0.0166 0.0367
Onchocerca volvulus 0.0054 0.0369 0.1359
Brugia malayi hypothetical protein 0.0038 0.0166 0.0354
Brugia malayi Matrixin family protein 0.0095 0.0903 0.1991
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0471 0.1782
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0081 0.0725 0.072
Mycobacterium tuberculosis Probable oxidoreductase 0.0552 0.6879 1
Schistosoma mansoni hypothetical protein 0.0211 0.2417 0.2771
Loa Loa (eye worm) hypothetical protein 0.0043 0.0225 0.05
Brugia malayi Hemopexin family protein 0.0134 0.142 0.3138
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0344 0.4164 0.416
Brugia malayi sodium-independent organic anion transporter family protein 0.0054 0.0369 0.0806
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0043 0.0225 0.0253
Loa Loa (eye worm) nuclear hormone receptor 0.0038 0.0166 0.0367
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0037 0.0146 0.3044
Loa Loa (eye worm) hypothetical protein 0.0039 0.0175 0.0388
Echinococcus multilocularis 0.0029 0.0049 0.0043
Loa Loa (eye worm) hypothetical protein 0.0043 0.0225 0.05
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0043 0.0225 0.0253
Brugia malayi Carboxylesterase family protein 0.0148 0.1596 0.3529
Loa Loa (eye worm) hypothetical protein 0.0038 0.0166 0.0367
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0037 0.0146 0.3044
Loa Loa (eye worm) hypothetical protein 0.0054 0.0369 0.0819
Brugia malayi tailless protein 0.0038 0.0166 0.0354
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0038 0.0163 0.0168
Leishmania major cathepsin L-like protease 0.0062 0.0471 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0151 0.0334
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0038 0.0166 0.0596
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0081 0.0725 0.0827
Schistosoma mansoni hypothetical protein 0.0029 0.0049 0.0049
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0038 0.0166 0.0184
Onchocerca volvulus 0.0039 0.0175 0.0631
Loa Loa (eye worm) hypothetical protein 0.0095 0.0903 0.2002
Mycobacterium ulcerans carboxylesterase, LipT 0.017 0.1884 0.2687
Loa Loa (eye worm) hypothetical protein 0.0043 0.0225 0.05
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0081 0.0725 0.1596
Schistosoma mansoni BC026374 protein (S09 family) 0.0039 0.0175 0.0194
Echinococcus multilocularis follistatin 0.0037 0.0146 0.0141
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0049 0.0108
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0081 0.0725 0.072
Trypanosoma cruzi cytochrome P450, putative 0.0038 0.0163 0.272
Brugia malayi Carboxylesterase family protein 0.0039 0.0175 0.0374
Brugia malayi cytochrome P450 0.0029 0.0049 0.0094
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0037 0.0151 0.0145
Echinococcus granulosus acetylcholinesterase 0.0148 0.1596 0.1828
Echinococcus multilocularis disintegrin and metalloproteinase 0.0102 0.0998 0.0993
Brugia malayi Carboxylesterase family protein 0.0039 0.0175 0.0374
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0081 0.0725 0.1596
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0037 0.0151 0.0167
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0081 0.0725 0.1596
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0151 0.2415
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0038 0.0166 0.016
Echinococcus granulosus BC026374 protein S09 family 0.0039 0.0175 0.0194
Brugia malayi secreted modular calcium-binding protein 1 0.0037 0.0146 0.0311
Onchocerca volvulus 0.0054 0.0369 0.1359
Loa Loa (eye worm) acetylcholinesterase 1 0.0148 0.1596 0.3538
Brugia malayi prostaglandin transporter 0.0054 0.0369 0.0806
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0471 0.1782
Loa Loa (eye worm) hypothetical protein 0.0068 0.0553 0.1225
Trichomonas vaginalis spcc417.12 protein, putative 0.0039 0.0175 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0006 0.0014
Onchocerca volvulus 0.0039 0.0175 0.0631
Loa Loa (eye worm) hypothetical protein 0.0095 0.0903 0.2002
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0037 0.0151 0.2415
Brugia malayi Cytochrome P450 family protein 0.0029 0.0049 0.0094
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0006 0.0014
Echinococcus granulosus neuroligin 0.0039 0.0175 0.0194
Brugia malayi nuclear receptor RXR 0.0043 0.0225 0.0487
Onchocerca volvulus 0.0081 0.0725 0.2689
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0471 0.1782
Loa Loa (eye worm) hypothetical protein 0.0038 0.0166 0.0367
Loa Loa (eye worm) hypothetical protein 0.0037 0.0146 0.0324
Schistosoma mansoni cytochrome P450 0.0029 0.0049 0.0049
Echinococcus granulosus ubiquitin specific protease 41 0.0037 0.0151 0.0167
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0037 0.0146 0.0311
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0081 0.0725 0.0827
Echinococcus granulosus ecdysone induced protein 78C 0.0081 0.0725 0.0827
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0081 0.0725 0.1607
Schistosoma mansoni gliotactin 0.0039 0.0175 0.0194
Loa Loa (eye worm) nuclear receptor NHR-67 0.0038 0.0166 0.0367
Echinococcus granulosus carboxylesterase 5A 0.0148 0.1596 0.1828
Brugia malayi Steroid receptor seven-up type 2 0.0081 0.0725 0.1596
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0037 0.0146 0.0311
Brugia malayi nuclear receptor NHR-67 0.0038 0.0166 0.0354
Loa Loa (eye worm) cytochrome P450 family protein 0.0038 0.0163 0.0362
Onchocerca volvulus Matrilysin homolog 0.021 0.241 0.8991
Brugia malayi orphan nuclear receptor NR2E1 0.0038 0.0166 0.0354
Brugia malayi photoreceptor-specific nuclear receptor 0.0081 0.0725 0.1596
Echinococcus multilocularis thyroid hormone receptor alpha 0.0081 0.0725 0.072
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0043 0.0225 0.0253
Onchocerca volvulus Bile acid receptor homolog 0.0231 0.2679 1
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0068 0.0553 0.0628
Brugia malayi nuclear hormone receptor 0.0038 0.0166 0.0354
Loa Loa (eye worm) hypothetical protein 0.0038 0.0166 0.0367
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0471 0.1782
Schistosoma mansoni follistatin 0.0037 0.0146 0.0162
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0039 0.0175 0.0194
Loa Loa (eye worm) hypothetical protein 0.0039 0.0175 0.0388
Loa Loa (eye worm) hypothetical protein 0.0038 0.0166 0.0367
Echinococcus multilocularis ubiquitin specific protease 41 0.0037 0.0151 0.0145
Schistosoma mansoni lamin 0.0026 0.0006 0.0001
Schistosoma mansoni agrin 0.0037 0.0146 0.0162
Schistosoma mansoni neuroligin 3 (S09 family) 0.0039 0.0175 0.0194
Loa Loa (eye worm) hypothetical protein 0.019 0.2148 0.4762
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0039 0.0175 1
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0028 0.0029 0.0027
Loa Loa (eye worm) matrixin family protein 0.0229 0.2657 0.589
Brugia malayi Nuclear hormone receptor E75 0.0038 0.0166 0.0354
Echinococcus granulosus agrin 0.0037 0.0146 0.0162
Schistosoma mansoni steroid hormone receptor ad4bp 0.0081 0.0725 0.0827
Loa Loa (eye worm) hypothetical protein 0.0115 0.1173 0.26
Schistosoma mansoni intermediate filament proteins 0.0026 0.0006 0.0001
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0081 0.0725 0.1607
Echinococcus multilocularis adam 0.0048 0.0299 0.0293
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0471 0.1782
Brugia malayi hypothetical protein 0.0043 0.0225 0.0487
Onchocerca volvulus 0.0095 0.0903 0.3355
Onchocerca volvulus 0.0039 0.0175 0.0631
Echinococcus multilocularis microtubule associated protein 2 0.0692 0.8708 0.8707
Echinococcus multilocularis para nitrobenzyl esterase 0.0039 0.0175 0.0169
Echinococcus granulosus FTZ F1 alpha 0.0081 0.0725 0.0827
Loa Loa (eye worm) reprolysin 0.0028 0.0029 0.0064
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0028 0.0029 0.0023
Brugia malayi Matrixin family protein 0.0095 0.0903 0.1991
Brugia malayi Matrixin family protein 0.0095 0.0903 0.1991
Loa Loa (eye worm) hypothetical protein 0.0054 0.0369 0.0819
Brugia malayi Nuclear hormone receptor-like 1 0.0081 0.0725 0.1596
Schistosoma mansoni RAR-like nuclear receptor 0.0081 0.0725 0.0827
Echinococcus granulosus thyroid hormone receptor alpha 0.0038 0.0166 0.0184
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0081 0.0725 0.2689
Schistosoma mansoni nuclear hormone receptor 0.0038 0.0166 0.0184
Loa Loa (eye worm) hypothetical protein 0.0038 0.0166 0.0367
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0081 0.0725 0.0827
Echinococcus granulosus cytochrome P450 2K1 0.0029 0.0049 0.0049
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0081 0.0725 0.072
Loa Loa (eye worm) hypothetical protein 0.0039 0.0175 0.0388
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0081 0.0725 0.1607
Echinococcus granulosus lamin 0.0026 0.0006 0.0001
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0471 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0151 0.043
Loa Loa (eye worm) hypothetical protein 0.0039 0.0175 0.0388
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0081 0.0725 0.0827
Onchocerca volvulus Putative organic anion transporter 0.0054 0.0369 0.1359
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0038 0.0166 0.0596
Echinococcus granulosus Nuclear hormone receptor HR96 0.0038 0.0166 0.0184
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0471 1
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0048 0.0299 0.0337
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0038 0.0166 0.0184
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0081 0.0725 0.0827
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0371 0.4511 1
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0037 0.0146 0.3044
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0056 0.0401 0.8346
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0471 0.1782
Loa Loa (eye worm) agrin synaptic family protein 0.0037 0.0146 0.0324
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.0225 0.0487
Brugia malayi SPARC precursor 0.0037 0.0146 0.0311
Brugia malayi Cytochrome P450 family protein 0.0038 0.0163 0.0349
Brugia malayi Nuclear hormone receptor E75 0.0038 0.0166 0.0354
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0371 0.4511 0.5177
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0115 0.1173 0.2589
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0081 0.0725 0.0827
Loa Loa (eye worm) hypothetical protein 0.0081 0.0725 0.1607
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0039 0.0175 0.0194
Echinococcus multilocularis ecdysone induced protein 78C 0.0081 0.0725 0.072
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0115 0.1173 0.1646
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0028 0.0029 0.0027
Echinococcus granulosus adam 17 protease 0.0028 0.0029 0.0027
Brugia malayi conserved hypotetical protein 0.0038 0.0166 0.0354
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0039 0.0175 0.0194
Loa Loa (eye worm) steroid hormone receptor 0.0081 0.0725 0.1607
Loa Loa (eye worm) hypothetical protein 0.0054 0.0369 0.0819
Loa Loa (eye worm) hypothetical protein 0.0081 0.0725 0.1607
Onchocerca volvulus 0.0054 0.0369 0.1359
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0028 0.0029 0.0027
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0037 0.0151 0.0167
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0081 0.0725 0.1596
Schistosoma mansoni organic anion transporter 0.0054 0.0369 0.0418
Schistosoma mansoni microtubule-associated protein tau 0.0692 0.8708 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0048 0.0299 0.592
Onchocerca volvulus Putative organic anion transporter 0.0054 0.0369 0.1359
Brugia malayi sodium-independent organic anion transporter family protein 0.0054 0.0369 0.0806
Loa Loa (eye worm) hypothetical protein 0.0038 0.0166 0.0367
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0054 0.0369 0.0364
Brugia malayi Cytochrome P450 family protein 0.0038 0.0163 0.0349
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0081 0.0725 0.1596
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0081 0.0725 0.1607
Onchocerca volvulus Matrilysin homolog 0.0095 0.0903 0.3355
Brugia malayi nuclear hormone receptor family member odr-7 0.0038 0.0166 0.0354
Onchocerca volvulus Protein ultraspiracle homolog 0.0081 0.0725 0.2689
Toxoplasma gondii protease inhibitor PI2 0.0037 0.0146 0.3044
Loa Loa (eye worm) hypothetical protein 0.0038 0.0166 0.0367
Echinococcus granulosus acetylcholinesterase 0.0148 0.1596 0.1828
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0081 0.0725 0.1596
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0081 0.0725 0.1596
Loa Loa (eye worm) carboxylesterase 0.0148 0.1596 0.3538
Loa Loa (eye worm) hypothetical protein 0.0148 0.1596 0.3538
Brugia malayi steroid hormone receptor 0.0081 0.0725 0.1596
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0081 0.0725 0.072
Echinococcus multilocularis neuroligin 0.0039 0.0175 0.0169
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0039 0.0175 0.0194
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0081 0.0725 0.0827
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0037 0.0151 0.0167
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0038 0.0166 0.0354
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0037 0.0151 0.5
Echinococcus granulosus Solute carrier organic anion transporter family 0.0054 0.0369 0.0418
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0471 0.1782
Echinococcus multilocularis nuclear receptor nhr 48 0.0038 0.0166 0.016
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0081 0.0725 0.0827
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0081 0.0725 0.0827
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0081 0.0725 0.1596
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0037 0.0146 0.0311
Trypanosoma brucei cytochrome P450, putative 0.0038 0.0163 0.0485
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0037 0.0151 0.032
Brugia malayi ecdysteroid receptor 0.0231 0.2679 0.5934
Brugia malayi hypothetical protein 0.0048 0.0299 0.0649
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0037 0.0146 0.0311
Brugia malayi Carboxylesterase family protein 0.0039 0.0175 0.0374
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0371 0.4511 0.5177
Loa Loa (eye worm) hypothetical protein 0.0081 0.0725 0.1607
Loa Loa (eye worm) hypothetical protein 0.0043 0.0225 0.05
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.0471 1
Brugia malayi Disintegrin family protein 0.0102 0.0998 0.2201
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0043 0.0225 0.05
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0054 0.0369 0.0819
Brugia malayi glutathione transferase 0.019 0.2148 0.4755
Brugia malayi Carboxylesterase family protein 0.0039 0.0175 0.0374
Trypanosoma cruzi MFS transporter, putative 0.0054 0.0369 0.76
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.0225 0.0487
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0081 0.0725 0.1607
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0148 0.1596 0.1828
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0344 0.4164 0.4778
Loa Loa (eye worm) hypothetical protein 0.0037 0.0146 0.0324
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0039 0.0175 0.0185
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0081 0.0725 0.1596
Echinococcus granulosus microtubule associated protein 2 0.0692 0.8708 1
Brugia malayi hypothetical protein 0.0043 0.0225 0.0487
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0038 0.0166 0.016
Plasmodium vivax glutathione S-transferase, putative 0.0026 0.0006 0.5
Trypanosoma brucei RNA helicase, putative 0.0211 0.2417 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0151 0.2415
Schistosoma mansoni nuclear receptor nhr-48 0.0038 0.0166 0.0184
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0081 0.0725 0.1596
Echinococcus multilocularis expressed protein 0.0037 0.0146 0.0141
Echinococcus granulosus adam 0.0048 0.0299 0.0337
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0038 0.0166 0.0184
Loa Loa (eye worm) disintegrin family protein 0.0074 0.0635 0.1408
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0471 0.1782
Loa Loa (eye worm) hypothetical protein 0.0038 0.0166 0.0367
Loa Loa (eye worm) CYP4Cod1 0.0038 0.0163 0.0362
Schistosoma mansoni acetylcholinesterase 0.0039 0.0175 0.0194
Onchocerca volvulus 0.0039 0.0175 0.0631
Onchocerca volvulus 0.0038 0.0166 0.0596
Loa Loa (eye worm) hypothetical protein 0.0037 0.0146 0.0324
Brugia malayi nuclear hormone receptor 0.0081 0.0725 0.1596
Echinococcus multilocularis FTZ F1 alpha 0.0081 0.0725 0.072
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0081 0.0725 0.072
Brugia malayi Carboxylesterase family protein 0.0148 0.1596 0.3529
Loa Loa (eye worm) hypothetical protein 0.0038 0.0166 0.0367
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0043 0.0225 0.022
Loa Loa (eye worm) matrixin family protein 0.021 0.241 0.5342
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0068 0.0553 0.0547
Onchocerca volvulus 0.0038 0.0166 0.0596
Loa Loa (eye worm) hypothetical protein 0.0081 0.0725 0.1607
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0006 0.0014
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0081 0.0725 0.0827
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0081 0.0725 0.1596
Brugia malayi ecdysone receptor 0.0038 0.0166 0.0354
Brugia malayi hypothetical protein 0.0054 0.0369 0.0806
Brugia malayi nuclear receptor NHR-88 0.0038 0.0166 0.0354
Brugia malayi nuclear receptor NHR-88 0.0081 0.0725 0.1596
Echinococcus multilocularis acetylcholinesterase 0.0148 0.1596 0.1591
Loa Loa (eye worm) hypothetical protein 0.0054 0.0369 0.0819
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0038 0.0166 0.0184
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0039 0.0175 0.0185
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0038 0.0166 0.016
Brugia malayi hypothetical protein 0.0054 0.0369 0.0806
Toxoplasma gondii transporter, major facilitator family protein 0.0054 0.0369 1
Echinococcus multilocularis acetylcholinesterase 0.0148 0.1596 0.1591
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0038 0.0166 0.0367
Loa Loa (eye worm) matrix metalloproteinase 0.0095 0.0903 0.2002
Loa Loa (eye worm) hypothetical protein 0.0039 0.0175 0.0388
Onchocerca volvulus 0.0054 0.0369 0.1359
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0081 0.0725 0.072
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0371 0.4511 1
Schistosoma mansoni thyroid hormone receptor 0.0081 0.0725 0.0827
Loa Loa (eye worm) hypothetical protein 0.0037 0.0146 0.0324
Loa Loa (eye worm) hypothetical protein 0.0038 0.0166 0.0367
Loa Loa (eye worm) hypothetical protein 0.0054 0.0369 0.0819
Loa Loa (eye worm) hypothetical protein 0.0039 0.0175 0.0388
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.01 0.0972 0.111
Loa Loa (eye worm) cytochrome P450 0.0029 0.0049 0.0108
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0037 0.0151 0.5
Brugia malayi hypothetical protein 0.0038 0.0166 0.0354
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0081 0.0725 0.1596
Mycobacterium ulcerans hydrolase 0.0115 0.1173 0.1646
Loa Loa (eye worm) hypothetical protein 0.0039 0.0175 0.0388
Echinococcus multilocularis agrin 0.0037 0.0146 0.0141
Onchocerca volvulus 0.0054 0.0369 0.1359
Mycobacterium tuberculosis Carboxylesterase LipT 0.017 0.1884 0.2687
Schistosoma mansoni nuclear hormone receptor 0.0038 0.0166 0.0184
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0037 0.0146 0.3044
Echinococcus multilocularis BC026374 protein (S09 family) 0.0039 0.0175 0.0169
Onchocerca volvulus Putative organic anion transporter 0.0054 0.0369 0.1359
Schistosoma mansoni retinoic acid receptor RXR 0.0081 0.0725 0.0827
Loa Loa (eye worm) DR-78 0.0038 0.0166 0.0367
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0471 0.1782
Echinococcus granulosus intermediate filament protein 0.0026 0.0006 0.0001
Plasmodium falciparum glutathione S-transferase 0.0026 0.0006 0.5
Echinococcus granulosus para nitrobenzyl esterase 0.0039 0.0175 0.0194
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0054 0.0369 0.0364
Schistosoma mansoni thyroid hormone receptor 0.0081 0.0725 0.0827
Loa Loa (eye worm) hypothetical protein 0.0231 0.2679 0.594
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0471 0.1782
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0037 0.0146 0.0324
Loa Loa (eye worm) carboxylesterase 0.0039 0.0175 0.0388
Echinococcus granulosus disintegrin and metalloproteinase 0.0102 0.0998 0.114
Leishmania major cathepsin L-like protease 0.0062 0.0471 1
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0054 0.0369 0.0418
Loa Loa (eye worm) hypothetical protein 0.0038 0.0166 0.0367
Brugia malayi nuclear receptor RXR 0.0038 0.0166 0.0354
Loa Loa (eye worm) hypothetical protein 0.0095 0.0903 0.2002
Onchocerca volvulus Matrix metalloproteinase homolog 0.021 0.241 0.8991
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0371 0.4511 0.4508
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0471 0.1782
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0037 0.0151 0.0167
Loa Loa (eye worm) hypothetical protein 0.0081 0.0725 0.1607
Schistosoma mansoni coup transcription factor 0.0081 0.0725 0.0827
Loa Loa (eye worm) hypothetical protein 0.0043 0.0225 0.05
Schistosoma mansoni nuclear receptor 0.0038 0.0166 0.0184
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0471 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0166 0.0367
Schistosoma mansoni hypothetical protein 0.0134 0.142 0.1625
Echinococcus granulosus lamin dm0 0.0026 0.0006 0.0001
Trypanosoma cruzi cytochrome P450, putative 0.0038 0.0163 0.272
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0081 0.0725 0.1607
Loa Loa (eye worm) hypothetical protein 0.0148 0.1596 0.3538
Onchocerca volvulus 0.0039 0.0175 0.0631
Echinococcus multilocularis lamin 0.0026 0.0006 0.0001
Loa Loa (eye worm) hypothetical protein 0.0054 0.0369 0.0819
Echinococcus granulosus nuclear receptor nhr 48 0.0038 0.0166 0.0184
Schistosoma mansoni nuclear receptor 0.0038 0.0166 0.0184
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0037 0.0151 0.0145
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0095 0.0903 0.1031
Loa Loa (eye worm) hypothetical protein 0.0054 0.0369 0.0819
Schistosoma mansoni organic anion transporter 0.0054 0.0369 0.0418
Leishmania major cathepsin L-like protease 0.0062 0.0471 1
Echinococcus multilocularis musashi 0.0026 0.0006 0.0001
Loa Loa (eye worm) hypothetical protein 0.0081 0.0725 0.1607
Brugia malayi nuclear hormone receptor family member nhr-6 0.0038 0.0166 0.0354
Loa Loa (eye worm) hypothetical protein 0.0028 0.0029 0.0064
Echinococcus granulosus follistatin 0.0037 0.0146 0.0162
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0081 0.0725 0.1596
Echinococcus multilocularis carboxylesterase 5A 0.0148 0.1596 0.1591
Leishmania major cytochrome p450-like protein 0.0038 0.0163 0.272
Onchocerca volvulus 0.0037 0.0146 0.0524
Schistosoma mansoni dihydroceramide desaturase 0.0102 0.0998 0.114
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0039 0.0175 0.0169
Mycobacterium ulcerans short chain dehydrogenase 0.0552 0.6879 1
Brugia malayi hypothetical protein 0.0039 0.0175 0.0374
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0081 0.0725 0.0827
Schistosoma mansoni lamin 0.0026 0.0006 0.0001
Echinococcus granulosus Nuclear hormone receptor HR96 0.0038 0.0166 0.0184
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0038 0.0166 0.016
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0081 0.0725 0.0827
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0081 0.0725 0.0827
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0038 0.0166 0.016
Mycobacterium leprae PROBABLE HYDROLASE 0.0115 0.1173 1
Echinococcus multilocularis lamin dm0 0.0026 0.0006 0.0001
Schistosoma mansoni nuclear hormone receptor 0.0081 0.0725 0.0827

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 24 nM Binding affinity to MMP2 (unknown origin) ChEMBL. 18036818
IC50 (binding) = 24 nM Binding affinity to MMP2 (unknown origin) ChEMBL. 18036818
IC50 (binding) = 48 nM Binding affinity to ADAM10 (unknown origin) ChEMBL. 18036818
IC50 (binding) = 48 nM Binding affinity to ADAM10 (unknown origin) ChEMBL. 18036818
IC50 (binding) = 162 nM Inhibition of HER2 sheddase (unknown origin) in BT474 cells by extracellular domain shedding assay ChEMBL. 18036818
IC50 (binding) = 162 nM Inhibition of HER2 sheddase (unknown origin) in BT474 cells by extracellular domain shedding assay ChEMBL. 18036818

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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