Detailed information for compound 401979

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 3502.78 | Formula: C150H217N43O49S3
  • H donors: 53 H acceptors: 50 LogP: -18.74 Rotable bonds: 124
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CO)CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CC(=O)N)CCSC)CC(C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)C(C)C)Cc1ccccc1)CC(=O)O)CCC(=O)N)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)N)CO)CCC(=O)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO
  • InChi: 1S/C150H217N43O49S3/c1-70(2)49-93(129(222)172-92(44-48-243-8)128(221)179-99(56-112(156)206)138(231)193-120(74(7)200)148(241)242)174-132(225)98(54-79-60-164-85-26-16-15-25-83(79)85)178-127(220)91(40-43-111(155)205)173-145(238)117(71(3)4)191-136(229)96(50-75-21-11-9-12-22-75)177-133(226)100(57-114(208)209)180-126(219)90(39-42-110(154)204)171-143(236)107-67-244-245-68-108(144(237)182-102(59-116(212)213)135(228)186-105(65-196)141(234)169-87(28-19-46-162-149(157)158)123(216)167-88(125(218)188-107)29-20-47-163-150(159)160)189-131(224)95(53-78-32-36-82(202)37-33-78)175-124(217)86(27-17-18-45-151)168-140(233)104(64-195)185-130(223)94(52-77-30-34-81(201)35-31-77)176-134(227)101(58-115(210)211)181-142(235)106(66-197)187-147(240)119(73(6)199)192-137(230)97(51-76-23-13-10-14-24-76)183-146(239)118(72(5)198)190-113(207)62-165-122(215)89(38-41-109(153)203)170-139(232)103(63-194)184-121(214)84(152)55-80-61-161-69-166-80/h9-16,21-26,30-37,60-61,69-74,84,86-108,117-120,164,194-202H,17-20,27-29,38-59,62-68,151-152H2,1-8H3,(H2,153,203)(H2,154,204)(H2,155,205)(H2,156,206)(H,161,166)(H,165,215)(H,167,216)(H,168,233)(H,169,234)(H,170,232)(H,171,236)(H,172,222)(H,173,238)(H,174,225)(H,175,217)(H,176,227)(H,177,226)(H,178,220)(H,179,221)(H,180,219)(H,181,235)(H,182,237)(H,183,239)(H,184,214)(H,185,223)(H,186,228)(H,187,240)(H,188,218)(H,189,224)(H,190,207)(H,191,229)(H,192,230)(H,193,231)(H,208,209)(H,210,211)(H,212,213)(H,241,242)(H4,157,158,162)(H4,159,160,163)/t72-,73-,74-,84+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,117+,118+,119+,120+/m1/s1
  • InChiKey: VBJIOVOOUYYUNI-DITHBEATSA-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
Rattus norvegicus Glucagon receptor Starlite/ChEMBL References
Rattus norvegicus Adenylate cyclase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis adenylate cyclase 9 Get druggable targets OG5_126919 All targets in OG5_126919
Echinococcus granulosus adenylate cyclase 9 Get druggable targets OG5_126919 All targets in OG5_126919
Loa Loa (eye worm) adenylyl cyclase 3 Get druggable targets OG5_126919 All targets in OG5_126919
Onchocerca volvulus Get druggable targets OG5_126919 All targets in OG5_126919
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126919 All targets in OG5_126919
Onchocerca volvulus Adenylate cyclase type 3 homolog Get druggable targets OG5_126919 All targets in OG5_126919
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126919 All targets in OG5_126919
Brugia malayi Adenylyl cyclase protein Get druggable targets OG5_126919 All targets in OG5_126919
Onchocerca volvulus Get druggable targets OG5_126919 All targets in OG5_126919
Onchocerca volvulus Adenylate cyclase type 2 homolog Get druggable targets OG5_126919 All targets in OG5_126919
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Drosophila melanogaster CG32301 gene product from transcript CG32301-RB Adenylate cyclase   967 aa 952 aa 28.5 %
Loa Loa (eye worm) pigment dispersing factor receptor c Glucagon receptor   485 aa 413 aa 24.7 %
Onchocerca volvulus Pseudouridine-5 prime-monophosphatase homolog Glucagon receptor   485 aa 416 aa 25.7 %
Onchocerca volvulus Adenylate cyclase   967 aa 893 aa 22.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum cysteine proteinase falcipain 2b 0.074 0.4444 1
Leishmania major cathepsin L-like protease 0.074 0.4444 1
Brugia malayi Papain family cysteine protease containing protein 0.0171 0.0556 0.053
Brugia malayi Cathepsin L-like precursor 0.074 0.4444 0.4429
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0171 0.0556 0.0193
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.074 0.4444 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0171 0.0556 0.0193
Brugia malayi Papain family cysteine protease containing protein 0.0171 0.0556 0.053
Loa Loa (eye worm) hypothetical protein 0.0509 0.2868 0.2848
Echinococcus multilocularis cysteine protease 0.074 0.4444 0.4429
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.074 0.4444 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.074 0.4444 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.074 0.4444 1
Onchocerca volvulus Adenylate cyclase type 3 homolog 0.0261 0.1168 0.2628
Loa Loa (eye worm) hypothetical protein 0.0509 0.2868 0.2848
Brugia malayi cathepsin L-like cysteine proteinase 0.0171 0.0556 0.053
Plasmodium vivax vivapain-2 0.074 0.4444 1
Entamoeba histolytica cysteine protease, putative 0.0402 0.2132 0.4054
Brugia malayi cathepsin F-like cysteine proteinase 0.023 0.096 0.0935
Entamoeba histolytica cysteine protease, putative 0.0402 0.2132 0.4054
Plasmodium falciparum cysteine proteinase falcipain 1 0.0402 0.2132 0.4054
Loa Loa (eye worm) hypothetical protein 0.0171 0.0556 0.053
Loa Loa (eye worm) hypothetical protein 0.0171 0.0556 0.053
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.074 0.4444 1
Brugia malayi fibroinase precursor 0.0171 0.0556 0.053
Brugia malayi Papain family cysteine protease containing protein 0.0171 0.0556 0.053
Leishmania major cysteine peptidase A (CPA) 0.074 0.4444 1
Onchocerca volvulus 0.0171 0.0556 0.125
Entamoeba histolytica cysteine proteinase, putative 0.074 0.4444 1
Loa Loa (eye worm) hypothetical protein 0.023 0.096 0.0935
Loa Loa (eye worm) hypothetical protein 0.0171 0.0556 0.053
Entamoeba histolytica cysteine proteinase, putative 0.0402 0.2132 0.4054
Leishmania major cathepsin L-like protease 0.074 0.4444 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.074 0.4444 0.4429
Trypanosoma cruzi cysteine protease, putative 0.0402 0.2132 0.1669
Loa Loa (eye worm) papain family cysteine protease containing protein 0.023 0.096 0.0935
Onchocerca volvulus Cathepsin L homolog 0.074 0.4444 1
Schistosoma mansoni cathepsin S (C01 family) 0.0171 0.0556 0.0193
Onchocerca volvulus 0.0094 0.0027 0.0062
Entamoeba histolytica cysteine protease, putative 0.0402 0.2132 0.4054
Onchocerca volvulus 0.074 0.4444 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.074 0.4444 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0509 0.2868 0.5946
Leishmania major cathepsin L-like protease 0.074 0.4444 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1551 1 1
Loa Loa (eye worm) hypothetical protein 0.0171 0.0556 0.053
Entamoeba histolytica cysteine protease, putative 0.0402 0.2132 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.0509 0.2868 0.2594
Trypanosoma cruzi cysteine peptidase, putative 0.074 0.4444 0.4117
Brugia malayi Cathepsin L-like precursor 0.023 0.096 0.0935
Schistosoma mansoni cathepsin F (C01 family) 0.074 0.4444 0.4231
Echinococcus granulosus cathepsin b 0.1551 1 1
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0171 0.0556 0.0193
Loa Loa (eye worm) ctsf protein 0.074 0.4444 0.4429
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0171 0.0556 0.0193
Echinococcus granulosus cathepsin l1 0.0509 0.2868 0.2848
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.074 0.4444 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.074 0.4444 1
Trypanosoma cruzi cysteine peptidase, putative 0.074 0.4444 0.4117
Echinococcus multilocularis cathepsin L cysteine protease 0.074 0.4444 0.4429
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.074 0.4444 1
Entamoeba histolytica cysteine protease, putative 0.0402 0.2132 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0171 0.0556 0.0193
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.074 0.4444 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0402 0.2132 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0402 0.2132 0.4054
Loa Loa (eye worm) hypothetical protein 0.0171 0.0556 0.053
Plasmodium vivax vivapain-1 0.0402 0.2132 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.074 0.4444 1
Plasmodium vivax vivapain-3 0.0402 0.2132 0.4054
Echinococcus multilocularis cathepsin b 0.1551 1 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0171 0.0556 0.053
Entamoeba histolytica cysteine protease, putative 0.0402 0.2132 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.074 0.4444 0.4429
Echinococcus granulosus cathepsin l cysteine peptidase 0.074 0.4444 0.4429
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1551 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0171 0.0556 0.053
Onchocerca volvulus Cathepsin F homolog 0.074 0.4444 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.074 0.4444 1
Echinococcus multilocularis cathepsin L 0.0171 0.0556 0.053
Plasmodium falciparum cysteine proteinase falcipain 2a 0.074 0.4444 1
Echinococcus granulosus cathepsin L cysteine protease 0.0402 0.2132 0.211
Schistosoma mansoni cathepsin C 0.0171 0.0556 0.0193
Loa Loa (eye worm) papain family cysteine protease containing protein 0.074 0.4444 0.4429
Schistosoma mansoni cathepsin F (C01 family) 0.074 0.4444 0.4231
Brugia malayi Papain family cysteine protease containing protein 0.0402 0.2132 0.211
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.074 0.4444 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.074 0.4444 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.074 0.4444 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.074 0.4444 1
Entamoeba histolytica cysteine protease, putative 0.0402 0.2132 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.074 0.4444 0.4429
Schistosoma mansoni cathepsin s 0.023 0.096 0.0613
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.074 0.4444 1
Echinococcus multilocularis cysteine protease 0.074 0.4444 0.4429
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.074 0.4444 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1551 1 1
Entamoeba histolytica cysteine proteinase 2 0.0402 0.2132 0.4054
Trypanosoma brucei cysteine peptidase C (CPC) 0.0598 0.3477 0.5815
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.074 0.4444 1
Onchocerca volvulus 0.074 0.4444 1
Echinococcus multilocularis cathepsin L cysteine protease 0.074 0.4444 0.4429
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0171 0.0556 0.0193
Giardia lamblia Cathepsin B precursor 0.0598 0.3477 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.074 0.4444 0.4429
Loa Loa (eye worm) hypothetical protein 0.0257 0.114 0.1116
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0171 0.0556 0.0193
Plasmodium vivax vivapain-2 0.074 0.4444 1
Onchocerca volvulus Cathepsin L homolog 0.074 0.4444 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.074 0.4444 1
Entamoeba histolytica cysteine proteinase, putative 0.074 0.4444 1
Onchocerca volvulus 0.074 0.4444 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.074 0.4444 1
Entamoeba histolytica cysteine protease, putative 0.0402 0.2132 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0402 0.2132 0.1669
Onchocerca volvulus 0.074 0.4444 1
Onchocerca volvulus 0.074 0.4444 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0598 0.3477 0.3093
Loa Loa (eye worm) hypothetical protein 0.023 0.096 0.0935
Brugia malayi cathepsin Z-like cysteine proteinase 0.0171 0.0556 0.053
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.074 0.4444 1
Entamoeba histolytica cysteine proteinase, putative 0.0509 0.2868 0.5946
Brugia malayi cathepsin Z-like cysteine proteinase 0.0171 0.0556 0.053
Brugia malayi cathepsin L precursor 0.0171 0.0556 0.053
Loa Loa (eye worm) hypothetical protein 0.1551 1 1
Echinococcus multilocularis cathepsin b 0.1551 1 1
Loa Loa (eye worm) fibroinase 0.074 0.4444 0.4429
Brugia malayi Cathepsin L-like precursor 0.074 0.4444 0.4429
Trypanosoma cruzi cysteine proteinase, putative 0.0402 0.2132 0.1669
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1551 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0402 0.2132 0.183
Loa Loa (eye worm) hypothetical protein 0.0509 0.2868 0.2848
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0171 0.0556 0.053
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.074 0.4444 1
Trypanosoma cruzi cysteine peptidase, putative 0.074 0.4444 0.4117
Plasmodium vivax unspecified product 0.023 0.096 0.104
Loa Loa (eye worm) hypothetical protein 0.074 0.4444 0.4429
Onchocerca volvulus Cathepsin L homolog 0.0171 0.0556 0.125
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0171 0.0556 0.053
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.074 0.4444 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1551 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0402 0.2132 0.183
Brugia malayi Cathepsin L-like precursor 0.074 0.4444 0.4429
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0402 0.2132 0.183
Brugia malayi Cathepsin L-like precursor 0.074 0.4444 0.4429
Entamoeba histolytica cysteine proteinase 1, putative 0.0402 0.2132 0.4054
Plasmodium vivax unspecified product 0.0402 0.2132 0.4054
Leishmania major cathepsin L-like protease 0.074 0.4444 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.074 0.4444 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.074 0.4444 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0509 0.2868 0.5946
Entamoeba histolytica cysteine protease, putative 0.074 0.4444 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0598 0.3477 0.3226
Leishmania major cathepsin L-like protease 0.074 0.4444 1
Entamoeba histolytica cysteine protease, putative 0.0402 0.2132 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.074 0.4444 1
Trypanosoma cruzi cysteine peptidase, putative 0.074 0.4444 0.4117
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.023 0.096 0.0935
Trypanosoma cruzi cruzipain precursor, putative 0.074 0.4444 0.4117
Trypanosoma cruzi cruzipain precursor, putative 0.023 0.096 0.0428
Loa Loa (eye worm) cathepsin B 0.0598 0.3477 0.3459
Leishmania major cathepsin L-like protease 0.074 0.4444 1
Entamoeba histolytica cysteine protease, putative 0.0402 0.2132 0.4054
Brugia malayi Cathepsin L-like precursor 0.0509 0.2868 0.2848
Onchocerca volvulus 0.074 0.4444 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.074 0.4444 1
Echinococcus granulosus cathepsin L 0.0402 0.2132 0.211
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.074 0.4444 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.074 0.4444 1
Toxoplasma gondii cathepsin CPL 0.074 0.4444 1
Entamoeba histolytica cysteine protease, putative 0.0402 0.2132 0.4054
Loa Loa (eye worm) hypothetical protein 0.0171 0.0556 0.053
Loa Loa (eye worm) cysteine protease 0.074 0.4444 0.4429
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0509 0.2868 0.2448
Entamoeba histolytica cysteine protease, putative 0.0402 0.2132 0.4054
Echinococcus granulosus cathepsin b 0.1551 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.074 0.4444 1
Echinococcus granulosus cathepsin l1 0.074 0.4444 0.4429
Echinococcus granulosus cathepsin L 0.0171 0.0556 0.053
Echinococcus granulosus cysteine protease 0.0402 0.2132 0.211
Echinococcus multilocularis cathepsin l cysteine peptidase 0.074 0.4444 0.4429
Entamoeba histolytica cysteine proteinase, putative 0.0402 0.2132 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.074 0.4444 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.074 0.4444 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0171 0.0556 0.053
Giardia lamblia Cathepsin B precursor 0.0598 0.3477 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.074 0.4444 1
Brugia malayi Cathepsin L-like precursor 0.074 0.4444 0.4429
Onchocerca volvulus 0.0509 0.2868 0.6453
Brugia malayi cathepsin L-like precursor 0.0509 0.2868 0.2848
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0171 0.0556 0.0193
Onchocerca volvulus 0.074 0.4444 1
Leishmania major cathepsin L-like protease 0.074 0.4444 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0171 0.0556 0.0193
Loa Loa (eye worm) hypothetical protein 0.023 0.096 0.0935
Brugia malayi Cathepsin L-like cysteine proteinase 0.0509 0.2868 0.2848
Toxoplasma gondii cathepsin B 0.0598 0.3477 0.7512
Entamoeba histolytica cysteine proteinase, putative 0.0402 0.2132 0.4054
Schistosoma mansoni cathepsin B (C01 family) 0.0171 0.0556 0.0193
Giardia lamblia Cathepsin B precursor 0.0598 0.3477 1
Trypanosoma cruzi cysteine peptidase, putative 0.023 0.096 0.0428
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.074 0.4444 1
Brugia malayi Cathepsin L-like precursor 0.074 0.4444 0.4429
Echinococcus multilocularis cathepsin L 0.0402 0.2132 0.211
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.074 0.4444 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0402 0.2132 0.1669
Brugia malayi Cathepsin L-like precursor 0.0509 0.2868 0.2848
Onchocerca volvulus Adenylate cyclase type 2 homolog 0.0094 0.0027 0.0062
Leishmania major cathepsin L-like protease 0.074 0.4444 1
Entamoeba histolytica cysteine proteinase, putative 0.0402 0.2132 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.074 0.4444 1
Entamoeba histolytica cysteine protease, putative 0.0402 0.2132 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0598 0.3477 0.7512
Brugia malayi Papain family cysteine protease containing protein 0.0402 0.2132 0.211
Trypanosoma cruzi cysteine proteinase, putative 0.0402 0.2132 0.1669

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 0.27 % Glucagon receptor binding measured as percentage stimulation ChEMBL. 11543679
Activity (binding) = 0.27 % Glucagon receptor binding measured as percentage stimulation ChEMBL. 11543679
Activity (binding) = 30 % Adenylate cyclase activity measured as percentage stimulation at 20 microM ChEMBL. 11543679
Activity (binding) = 30 % Adenylate cyclase activity measured as percentage stimulation at 20 microM ChEMBL. 11543679
EC50 (binding) = 7500 nM Adenylate cyclase activity measured as 50% inhibitory concentration ChEMBL. 11543679
EC50 (binding) = 7500 nM Adenylate cyclase activity measured as 50% inhibitory concentration ChEMBL. 11543679
IC50 (binding) = 562 nM Glucagon receptor binding measured as 50% inhibitory concentration ChEMBL. 11543679
IC50 (binding) = 562 nM Glucagon receptor binding measured as 50% inhibitory concentration ChEMBL. 11543679

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.

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