Detailed information for compound 1852019
Basic information
Technical information
- Name: Unnamed compound
- MW: 485.536 | Formula: C30H23N5O2
-
H donors: 3
H acceptors: 3
LogP: 5.28
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: C#Cc1cccc(c1)Nc1ncnc2c1cc(OCc1ccc(cc1)C(=O)Nc1ccccc1N)cc2
- InChi: 1S/C30H23N5O2/c1-2-20-6-5-7-23(16-20)34-29-25-17-24(14-15-27(25)32-19-33-29)37-18-21-10-12-22(13-11-21)30(36)35-28-9-4-3-8-26(28)31/h1,3-17,19H,18,31H2,(H,35,36)(H,32,33,34)
- InChiKey: SEVGOOROBLVJGK-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | histone deacetylase 8 | No references | |
| Homo sapiens | erb-b2 receptor tyrosine kinase 2 | Starlite/ChEMBL | No references |
| Homo sapiens | platelet-derived growth factor receptor, beta polypeptide | Starlite/ChEMBL | No references |
| Homo sapiens | histone deacetylase 10 | No references | |
| Homo sapiens | ABL proto-oncogene 1, non-receptor tyrosine kinase | Starlite/ChEMBL | No references |
| Homo sapiens | cyclin-dependent kinase 3 | Starlite/ChEMBL | No references |
| Homo sapiens | histone deacetylase 6 | No references | |
| Homo sapiens | histone deacetylase 9 | Starlite/ChEMBL | No references |
| Homo sapiens | histone deacetylase 3 | Starlite/ChEMBL | No references |
| Homo sapiens | histone deacetylase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | histone deacetylase 2 | No references | |
| Homo sapiens | epidermal growth factor receptor | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Trypanosoma brucei | histone deacetylase 2 | histone deacetylase 2 | 488 aa | 427 aa | 29.0 % |
| Trypanosoma cruzi | histone deacetylase, putative | histone deacetylase 3 | 428 aa | 374 aa | 30.5 % |
| Plasmodium falciparum | histone deacetylase 1 | histone deacetylase 8 | 286 aa | 241 aa | 44.8 % |
| Trypanosoma brucei | mitogen-activated protein kinase 5 | cyclin-dependent kinase 3 | 305 aa | 303 aa | 32.0 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus granulosus | tyrosine protein kinase Src64B | 0.0011 | 0.01 | 0.01 |
| Echinococcus granulosus | 3'partial|tyrosine protein kinase Fgr | 0.0011 | 0.01 | 0.01 |
| Trichomonas vaginalis | histone deacetylase, putative | 0.0289 | 0.7937 | 1 |
| Loa Loa (eye worm) | CMGC/CDK/CDK5 protein kinase | 0.0052 | 0.1252 | 0.1252 |
| Echinococcus granulosus | histone deacetylase 7 | 0.026 | 0.7125 | 0.7125 |
| Trypanosoma cruzi | histone deacetylase, putative | 0.026 | 0.7125 | 0.8786 |
| Schistosoma mansoni | vesicular amine transporter | 0.0011 | 0.0099 | 0.0099 |
| Trypanosoma brucei | histone deacetylase 4 | 0.026 | 0.7125 | 0.8786 |
| Trichomonas vaginalis | histone deacetylase 1, 2 ,3, putative | 0.0289 | 0.7937 | 1 |
| Loa Loa (eye worm) | histone deacetylase 3 | 0.0289 | 0.7937 | 0.7937 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 0.0099 | 0.0099 |
| Loa Loa (eye worm) | hypothetical protein | 0.0099 | 0.2584 | 0.2584 |
| Trypanosoma brucei | histone deacetylase 3 | 0.026 | 0.7125 | 0.8786 |
| Echinococcus multilocularis | c src tyrosine kinase | 0.0011 | 0.01 | 0.01 |
| Entamoeba histolytica | cell division protein kinase 2, putative | 0.0052 | 0.1252 | 0.1577 |
| Echinococcus granulosus | proto oncogene tyrosine protein kinase LCK | 0.0011 | 0.01 | 0.01 |
| Schistosoma mansoni | histone deacetylase 1 2 3 | 0.0124 | 0.3288 | 0.3288 |
| Toxoplasma gondii | histone deacetylase HDAC3 | 0.0289 | 0.7937 | 1 |
| Brugia malayi | Histone deacetylase 1 | 0.0289 | 0.7937 | 0.7937 |
| Echinococcus multilocularis | histone deacetylase 6 | 0.026 | 0.7125 | 0.7125 |
| Echinococcus multilocularis | roundabout 2 | 0.0018 | 0.0283 | 0.0283 |
| Trichomonas vaginalis | histone deacetylase 1, 2 ,3, putative | 0.0289 | 0.7937 | 1 |
| Echinococcus granulosus | histone deacetylase 1 | 0.0289 | 0.7937 | 0.7937 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0011 | 0.01 | 0.01 |
| Schistosoma mansoni | tyrosine kinase | 0.0253 | 0.6923 | 0.6923 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0011 | 0.01 | 0.01 |
| Echinococcus granulosus | cyclin dependent kinase 5 | 0.0052 | 0.1252 | 0.1252 |
| Schistosoma mansoni | tyrosine kinase | 0.0117 | 0.3086 | 0.3086 |
| Echinococcus granulosus | neurotracting:lsamp:neurotrimin:obcam | 0.0015 | 0.0202 | 0.0202 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0011 | 0.01 | 0.01 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0011 | 0.01 | 0.01 |
| Brugia malayi | histone deacetylase 11 | 0.0124 | 0.3288 | 0.3288 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0011 | 0.0099 | 0.0099 |
| Schistosoma mansoni | tyrosine kinase | 0.0196 | 0.5299 | 0.5299 |
| Echinococcus multilocularis | 0.0111 | 0.2927 | 0.2927 | |
| Echinococcus multilocularis | cyclin dependent kinase | 0.0052 | 0.1252 | 0.1252 |
| Echinococcus multilocularis | histone deacetylase 8 | 0.0124 | 0.3288 | 0.3288 |
| Loa Loa (eye worm) | TK/KIN16 protein kinase | 0.0019 | 0.0318 | 0.0318 |
| Trichomonas vaginalis | histone deacetylase, putative | 0.0289 | 0.7937 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Src42A | 0.0011 | 0.01 | 0.01 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0019 | 0.0318 | 0.0318 |
| Echinococcus granulosus | insulin growth factor 1 receptor beta | 0.0117 | 0.3086 | 0.3086 |
| Toxoplasma gondii | histone deacetylase HDAC4 | 0.0124 | 0.3288 | 0.3045 |
| Echinococcus granulosus | insulin receptor | 0.0117 | 0.3086 | 0.3086 |
| Echinococcus granulosus | epidermal growth factor receptor | 0.0362 | 1 | 1 |
| Echinococcus granulosus | histone deacetylase 6 | 0.026 | 0.7125 | 0.7125 |
| Echinococcus multilocularis | histone deacetylase 6 | 0.026 | 0.7125 | 0.7125 |
| Brugia malayi | histone deacetylase 1 (HD1) | 0.0289 | 0.7937 | 0.7937 |
| Loa Loa (eye worm) | CMGC/CDK/CDC2 protein kinase | 0.0052 | 0.1252 | 0.1252 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 0.0099 | 0.0099 |
| Trichomonas vaginalis | histone deacetylase, putative | 0.0289 | 0.7937 | 1 |
| Toxoplasma gondii | histone deacetylase HDAC5 | 0.0124 | 0.3288 | 0.3045 |
| Schistosoma mansoni | tyrosine kinase | 0.0011 | 0.01 | 0.01 |
| Echinococcus multilocularis | tyrosine protein kinase lyn tyrosine protein kinase blk | 0.0011 | 0.01 | 0.01 |
| Leishmania major | histone deacetylase, putative | 0.026 | 0.7125 | 0.8786 |
| Schistosoma mansoni | tyrosine kinase | 0.0362 | 1 | 1 |
| Echinococcus multilocularis | neuroglian | 0.0014 | 0.018 | 0.018 |
| Echinococcus granulosus | tyrosine protein kinase Lyn | 0.0012 | 0.0116 | 0.0116 |
| Echinococcus multilocularis | tyrosine protein kinase Fgr | 0.0011 | 0.01 | 0.01 |
| Echinococcus granulosus | cyclin dependent kinase 1 | 0.0052 | 0.1252 | 0.1252 |
| Toxoplasma gondii | histone deacetylase HDAC1 | 0.026 | 0.7125 | 0.8786 |
| Loa Loa (eye worm) | CMGC/CDK/CDC2 protein kinase | 0.0052 | 0.1252 | 0.1252 |
| Echinococcus multilocularis | tyrosine protein kinase Src64B | 0.0011 | 0.01 | 0.01 |
| Echinococcus granulosus | 5'partial|cyclin dependent kinase 1 | 0.0052 | 0.1252 | 0.1252 |
| Loa Loa (eye worm) | hypothetical protein | 0.0052 | 0.1236 | 0.1236 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 0.0202 | 0.0202 |
| Leishmania major | histone deacetylase, putative | 0.026 | 0.7125 | 0.8786 |
| Plasmodium vivax | histone deacetylase, putative | 0.026 | 0.7125 | 0.8786 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 0.0099 | 0.0099 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0283 | 0.0283 |
| Echinococcus multilocularis | cyclin dependent kinase 1 | 0.0052 | 0.1252 | 0.1252 |
| Schistosoma mansoni | histone deacetylase 4 5 | 0.026 | 0.7125 | 0.7125 |
| Schistosoma mansoni | cell adhesion molecule | 0.0015 | 0.0202 | 0.0202 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0052 | 0.1252 | 0.1252 |
| Brugia malayi | Tyrosine-protein kinase abl-1 | 0.0107 | 0.2786 | 0.2786 |
| Trypanosoma brucei | histone deacetylase, putative | 0.026 | 0.7125 | 0.8786 |
| Echinococcus multilocularis | cyclin dependent kinase 5 | 0.0052 | 0.1252 | 0.1252 |
| Brugia malayi | histone deacetylase 3 (HD3) | 0.0289 | 0.7937 | 0.7937 |
| Plasmodium falciparum | histone deacetylase 1 | 0.0289 | 0.7937 | 1 |
| Echinococcus multilocularis | Immunoglobulin | 0.0011 | 0.0099 | 0.0099 |
| Trichomonas vaginalis | histone deacetylase, putative | 0.0289 | 0.7937 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0191 | 0.5184 | 0.5184 |
| Loa Loa (eye worm) | hypothetical protein | 0.0144 | 0.383 | 0.383 |
| Echinococcus multilocularis | histone deacetylase | 0.026 | 0.7125 | 0.7125 |
| Entamoeba histolytica | histone deacetylase, putative | 0.0289 | 0.7937 | 1 |
| Onchocerca volvulus | Histone deacetylase 10 homolog | 0.0124 | 0.3288 | 1 |
| Schistosoma mansoni | histone deacetylase 4 5 | 0.026 | 0.7125 | 0.7125 |
| Trypanosoma brucei | histone deacetylase 2 | 0.0124 | 0.3288 | 0.3045 |
| Echinococcus multilocularis | histone deacetylase 6 | 0.0268 | 0.7335 | 0.7335 |
| Echinococcus granulosus | tyrosine protein kinase Btk29A | 0.0011 | 0.01 | 0.01 |
| Trypanosoma cruzi | histone deacetylase, putative | 0.0124 | 0.3288 | 0.3045 |
| Echinococcus granulosus | neuroglian | 0.0014 | 0.018 | 0.018 |
| Trypanosoma brucei | histone deacetylase 1 | 0.0289 | 0.7937 | 1 |
| Echinococcus granulosus | histone deacetylase 8 | 0.0124 | 0.3288 | 0.3288 |
| Trypanosoma cruzi | histone deacetylase 1, putative | 0.0289 | 0.7937 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Src42A | 0.0011 | 0.01 | 0.01 |
| Loa Loa (eye worm) | TK/EGFR protein kinase | 0.0362 | 1 | 1 |
| Echinococcus multilocularis | basement membrane specific heparan sulfate | 0.0011 | 0.0099 | 0.0099 |
| Trypanosoma cruzi | histone deacetylase 1, putative | 0.0289 | 0.7937 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0117 | 0.3086 | 0.3086 |
| Schistosoma mansoni | tyrosine kinase | 0.0011 | 0.0082 | 0.0082 |
| Echinococcus granulosus | histone deacetylase 6 | 0.0268 | 0.7335 | 0.7335 |
| Echinococcus multilocularis | Immunoglobulin | 0.0011 | 0.0099 | 0.0099 |
| Echinococcus multilocularis | histone deacetylase 1 | 0.0289 | 0.7937 | 0.7937 |
| Echinococcus multilocularis | tyrosine protein kinase Btk29A | 0.0011 | 0.01 | 0.01 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0011 | 0.01 | 0.01 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0011 | 0.01 | 0.01 |
| Echinococcus granulosus | roundabout 2 | 0.0018 | 0.0283 | 0.0283 |
| Loa Loa (eye worm) | hypothetical protein | 0.0124 | 0.3288 | 0.3288 |
| Schistosoma mansoni | nephrin | 0.0014 | 0.018 | 0.018 |
| Trypanosoma cruzi | histone deacetylase, putative | 0.026 | 0.7125 | 0.8786 |
| Plasmodium vivax | histone deacetylase 1, putative | 0.0289 | 0.7937 | 1 |
| Echinococcus multilocularis | histone deacetylase 3 | 0.0289 | 0.7937 | 0.7937 |
| Echinococcus granulosus | defective proboscis extension response | 0.0011 | 0.0099 | 0.0099 |
| Schistosoma mansoni | histone deacetylase hda2 | 0.0124 | 0.3288 | 0.3288 |
| Brugia malayi | Histone deacetylase family protein | 0.026 | 0.7125 | 0.7125 |
| Loa Loa (eye worm) | hypothetical protein | 0.0136 | 0.362 | 0.362 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 0.0099 | 0.0099 |
| Echinococcus multilocularis | insulin receptor | 0.0117 | 0.3086 | 0.3086 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 0.0099 | 0.0099 |
| Echinococcus multilocularis | tyrosine protein kinase Abl | 0.0107 | 0.2786 | 0.2786 |
| Loa Loa (eye worm) | histone deacetylase 7A | 0.026 | 0.7125 | 0.7125 |
| Entamoeba histolytica | cell division protein kinase 2, putative | 0.0052 | 0.1252 | 0.1577 |
| Schistosoma mansoni | proto-oncogene tyrosine-protein kinase src | 0.0011 | 0.01 | 0.01 |
| Echinococcus granulosus | histone deacetylase | 0.026 | 0.7125 | 0.7125 |
| Echinococcus multilocularis | epidermal growth factor receptor | 0.0362 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0011 | 0.0099 | 0.0099 |
| Echinococcus multilocularis | tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase | 0.0011 | 0.01 | 0.01 |
| Brugia malayi | Histone deacetylase family protein | 0.026 | 0.7125 | 0.7125 |
| Echinococcus granulosus | histone deacetylase 3 | 0.0289 | 0.7937 | 0.7937 |
| Trichomonas vaginalis | histone deacetylase, putative | 0.0289 | 0.7937 | 1 |
| Brugia malayi | Fibronectin type III domain containing protein | 0.0011 | 0.0099 | 0.0099 |
| Schistosoma mansoni | histone deacetylase | 0.0289 | 0.7937 | 0.7937 |
| Schistosoma mansoni | tyrosine kinase | 0.0191 | 0.5184 | 0.5184 |
| Schistosoma mansoni | defective proboscis extension response (dpr)-related | 0.0011 | 0.0099 | 0.0099 |
| Loa Loa (eye worm) | TK/INSR protein kinase | 0.0117 | 0.3086 | 0.3086 |
| Schistosoma mansoni | tyrosine kinase | 0.0011 | 0.01 | 0.01 |
| Schistosoma mansoni | tyrosine kinase | 0.0196 | 0.5299 | 0.5299 |
| Leishmania major | histone deacetylase, putative | 0.0289 | 0.7937 | 1 |
| Brugia malayi | SRC-1 | 0.0011 | 0.01 | 0.01 |
| Trypanosoma cruzi | histone deacetylase, putative | 0.0124 | 0.3288 | 0.3045 |
| Brugia malayi | cell division control protein 2 homolog | 0.0052 | 0.1252 | 0.1252 |
| Echinococcus granulosus | epidermal growth factor receptor | 0.0196 | 0.5299 | 0.5299 |
| Plasmodium vivax | histone deacetylase 2, putative | 0.026 | 0.7125 | 0.8786 |
| Echinococcus granulosus | c src tyrosine kinase | 0.0011 | 0.01 | 0.01 |
| Echinococcus granulosus | Immunoglobulin | 0.0011 | 0.0099 | 0.0099 |
| Trichomonas vaginalis | histone deacetylase 1, 2 ,3, putative | 0.0289 | 0.7937 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0011 | 0.01 | 0.01 |
| Loa Loa (eye worm) | hypothetical protein | 0.0289 | 0.7937 | 0.7937 |
| Echinococcus granulosus | twitchin | 0.0015 | 0.0196 | 0.0196 |
| Echinococcus multilocularis | cyclin dependent kinase 1 | 0.0052 | 0.1252 | 0.1252 |
| Toxoplasma gondii | histone deacetylase HDAC2 | 0.0289 | 0.7937 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0283 | 0.0283 |
| Plasmodium falciparum | histone deacetylase, putative | 0.026 | 0.7125 | 0.8786 |
| Echinococcus granulosus | histone deacetylase 6 | 0.026 | 0.7125 | 0.7125 |
| Loa Loa (eye worm) | TK/ABL protein kinase | 0.0257 | 0.7026 | 0.7026 |
| Plasmodium vivax | histone deacetylase, putative | 0.0124 | 0.3288 | 0.3045 |
| Brugia malayi | Tyrosine-protein kinase abl-1 | 0.0154 | 0.4122 | 0.4122 |
| Schistosoma mansoni | histone deacetylase hda2 | 0.0268 | 0.7335 | 0.7335 |
| Loa Loa (eye worm) | histone deacetylase 1 | 0.0289 | 0.7937 | 0.7937 |
| Brugia malayi | Protein kinase domain containing protein | 0.0052 | 0.1252 | 0.1252 |
| Leishmania major | histone deacetylase, putative | 0.0289 | 0.7937 | 1 |
| Echinococcus multilocularis | epidermal growth factor receptor | 0.0196 | 0.5299 | 0.5299 |
| Loa Loa (eye worm) | histone deacetylase 11 | 0.0124 | 0.3288 | 0.3288 |
| Echinococcus multilocularis | histone deacetylase 7 | 0.026 | 0.7125 | 0.7125 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0052 | 0.1252 | 0.1252 |
| Echinococcus multilocularis | insulin growth factor 1 receptor beta | 0.0117 | 0.3086 | 0.3086 |
| Schistosoma mansoni | histone deacetylase | 0.0289 | 0.7937 | 0.7937 |
| Brugia malayi | Protein kinase domain containing protein | 0.0117 | 0.3086 | 0.3086 |
| Echinococcus granulosus | melanoma receptor tyrosine protein kinase | 0.0196 | 0.5299 | 0.5299 |
| Schistosoma mansoni | tyrosine kinase | 0.0191 | 0.5184 | 0.5184 |
| Loa Loa (eye worm) | SRC-1 | 0.0011 | 0.01 | 0.01 |
| Plasmodium falciparum | histone deacetylase 2 | 0.026 | 0.7125 | 0.8786 |
| Trypanosoma cruzi | histone deacetylase, putative | 0.026 | 0.7125 | 0.8786 |
| Echinococcus multilocularis | tyrosine protein kinase ABL1 | 0.0257 | 0.7026 | 0.7026 |
| Schistosoma mansoni | tyrosine kinase | 0.0011 | 0.01 | 0.01 |
| Echinococcus granulosus | tyrosine protein kinase ABL1 | 0.0257 | 0.7026 | 0.7026 |
| Trichomonas vaginalis | histone deacetylase, putative | 0.0289 | 0.7937 | 1 |
| Echinococcus granulosus | cyclin dependent kinase | 0.0052 | 0.1252 | 0.1252 |
| Giardia lamblia | Histone deacetylase | 0.0289 | 0.7937 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 0.0099 | 0.0099 |
| Schistosoma mansoni | Neurotrimin precursor (hNT) | 0.0011 | 0.0099 | 0.0099 |
| Loa Loa (eye worm) | histone deacetylase | 0.026 | 0.7125 | 0.7125 |
| Echinococcus multilocularis | proto oncogene tyrosine protein kinase LCK | 0.0011 | 0.01 | 0.01 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 0.041 uM | Inhibition of human recombinant HDAC1 expressed in human HEK293 cells using Ac-NH-GGK(Ac)-AMC as substrate after 180 mins by fluorescence assay | ChEMBL. | No reference |
| IC50 (binding) | = 0.066 uM | Inhibition of recombinant HER2 (unknown origin) using poly-Glu-Tyr peptide as substrate | ChEMBL. | No reference |
| IC50 (binding) | = 0.078 uM | Inhibition of recombinant EGFR (unknown origin) using poly-Glu-Tyr peptide as substrate | ChEMBL. | No reference |
| IC50 (binding) | = 0.2 uM | Inhibition of HDAC in human HeLa cell nuclear extracts using Ac-NH-GGK(Ac)-AMC as substrate after 180 mins by fluorescence assay | ChEMBL. | No reference |
| IC50 (binding) | = 0.55 uM | Inhibition of human recombinant HDAC3 expressed in Sf21 insect cells using Ac-NH-GGK(Ac)-AMC as substrate after 180 mins by fluorescence assay | ChEMBL. | No reference |
| IC50 (functional) | = 1.35 uM | Cytotoxicity against human HeLa cells by Alamar Blue assay | ChEMBL. | No reference |
| IC50 (binding) | = 1.85 uM | Inhibition of HDAC in human HeLa cells using Boc-K(Ac)-AMC as substrate preincubated for 4 hrs before substrate addition measured after 3 hrs by fluorescence assay | ChEMBL. | No reference |
| IC50 (binding) | = 7 uM | Inhibition of recombinant Abl1 (unknown origin) using poly-Glu-Tyr peptide as substrate | ChEMBL. | No reference |
| IC50 (binding) | = 7.2 uM | Inhibition of recombinant PDGFRbeta (unknown origin) using poly-Glu-Tyr peptide as substrate | ChEMBL. | No reference |
| IC50 (binding) | = 13 uM | Inhibition of recombinant CDK2 (unknown origin) using poly-Glu-Tyr peptide as substrate | ChEMBL. | No reference |
| IC50 (binding) | > 32 uM | Inhibition of human recombinant HDAC6 expressed in human HEK293 cells using Ac-NH-GGK(Ac)-AMC as substrate after 180 mins by fluorescence assay | ChEMBL. | No reference |
| IC50 (binding) | > 32 uM | Inhibition of human recombinant HDAC8 expressed in Sf21 insect cells using Ac-NH-GGK(Ac)-AMC as substrate after 180 mins by fluorescence assay | ChEMBL. | No reference |
| IC50 (binding) | = 36 uM | Inhibition of recombinant InsR (unknown origin) using poly-Glu-Tyr peptide as substrate | ChEMBL. | No reference |
| IC50 (binding) | > 100 uM | Inhibition of recombinant Plk1 (unknown origin) using poly-Glu-Tyr peptide as substrate | ChEMBL. | No reference |
| Imax (binding) | = 50 % | Inhibition of HDAC in human HeLa cell nuclear extracts using Ac-NH-GGK(Ac)-AMC as substrate after 180 mins by fluorescence assay relative to control | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | ChEMBL23 |
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.
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
- ChEMBL: CHEMBL3218000
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.