Detailed information for compound 330016

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 449.718 | Formula: C20H15Cl3N4O2
  • H donors: 2 H acceptors: 3 LogP: 4.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nn(c2c1c(=O)[nH]c(n2)Cc1ccc(cc1)O)c1c(Cl)cc(cc1Cl)Cl
  • InChi: 1S/C20H15Cl3N4O2/c1-2-15-17-19(27(26-15)18-13(22)8-11(21)9-14(18)23)24-16(25-20(17)29)7-10-3-5-12(28)6-4-10/h3-6,8-9,28H,2,7H2,1H3,(H,24,25,29)
  • InChiKey: BSDJIQDLIJZWHF-UHFFFAOYSA-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
Homo sapiens cyclin B2 Starlite/ChEMBL References
Homo sapiens cyclin B3 Starlite/ChEMBL References
Homo sapiens cyclin D1 Starlite/ChEMBL References
Homo sapiens cyclin E2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense cyclin 6,mitotic cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Giardia lamblia G2/mitotic-specific cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans likely G2 B-type cyclin similar to S. cerevisiae CLB1 (YPR119W) which is involved in mitotic induction Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans likely B-type cyclin similar to S. cerevisiae CLB4 (YLR210W) and CLB3 (YDL155W) involved in G1/S transition Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus G2:mitotic specific cyclin B3 Get druggable targets OG5_134175 All targets in OG5_134175
Candida albicans hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, putative Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma mansoni cyclin B3 Get druggable targets OG5_134175 All targets in OG5_134175
Schistosoma japonicum IPR002155,Thiolase,domain-containing Get druggable targets OG5_134175 All targets in OG5_134175
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis G2:mitotic specific cyclin B3 Get druggable targets OG5_134175 All targets in OG5_134175
Trichomonas vaginalis cyclin A, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum ko:K05868 cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans likely G2 B-type cyclin similar to S. cerevisiae CLB1 (YPR119W) which is involved in mitotic induction Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania major cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum ko:K05868 cyclin B, putative Get druggable targets OG5_134175 All targets in OG5_134175
Cryptosporidium hominis mitotic cyclin-CYC2 Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_134175 All targets in OG5_134175
Leishmania donovani CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Onchocerca volvulus Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) cyclin domain-containing protein Get druggable targets OG5_134175 All targets in OG5_134175
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma mansoni cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0256 0.0256
Schistosoma mansoni cyclin B 0.0116 0.2426 0.2426
Plasmodium vivax SET domain protein, putative 0.0031 0.0256 0.2447
Echinococcus multilocularis voltage dependent calcium channel 0.0237 0.5534 0.5534
Loa Loa (eye worm) hypothetical protein 0.0228 0.5304 0.9584
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0237 0.5534 0.5534
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.1848 0.1848
Trichomonas vaginalis cyclins, putative 0.0051 0.0765 0.1094
Loa Loa (eye worm) hypothetical protein 0.0073 0.1329 0.2401
Entamoeba histolytica heat shock transcription factor, putative 0.0101 0.2061 0.2946
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.226 0.6383
Loa Loa (eye worm) hypothetical protein 0.0116 0.2426 0.4383
Trypanosoma brucei trypanothione reductase 0.0048 0.0694 0.2861
Echinococcus multilocularis cyclins 0.0086 0.166 0.166
Trichomonas vaginalis cyclins, putative 0.0086 0.166 0.2374
Brugia malayi Bromodomain containing protein 0.0064 0.1109 0.2003
Brugia malayi jmjC domain containing protein 0.0202 0.4633 0.8371
Giardia lamblia G2/mitotic-specific cyclin B 0.0116 0.2426 0.3468
Brugia malayi Pre-SET motif family protein 0.0031 0.0256 0.0463
Loa Loa (eye worm) jmjC domain-containing protein 0.0127 0.2726 0.4925
Trichomonas vaginalis cyclin B, putative 0.0086 0.166 0.2374
Brugia malayi Cyclin, N-terminal domain containing protein 0.022 0.509 0.9197
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0032 0.0305
Toxoplasma gondii PHD-finger domain-containing protein 0.0062 0.1048 0.6615
Trichomonas vaginalis cyclin D, putative 0.0086 0.166 0.2374
Brugia malayi jmjC domain containing protein 0.0078 0.1471 0.2657
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0144 0.3147 1
Echinococcus granulosus peregrin 0.0064 0.1109 0.1109
Trichomonas vaginalis set domain proteins, putative 0.0239 0.5585 0.7985
Echinococcus granulosus cyclins 0.0086 0.166 0.166
Onchocerca volvulus 0.0029 0.0211 0.0378
Echinococcus granulosus lysine specific demethylase 5A 0.0078 0.1471 0.1471
Loa Loa (eye worm) hypothetical protein 0.0116 0.2426 0.4383
Brugia malayi Bromodomain containing protein 0.0039 0.0458 0.0827
Leishmania major cyclin 0.0116 0.2426 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0202 0.4633 0.4633
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0256 0.0256
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0397 0.0397
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0237 0.5534 0.5534
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.1848 0.334
Brugia malayi F/Y-rich N-terminus family protein 0.0032 0.029 0.0524
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0295 0.6995 1
Loa Loa (eye worm) PHD-finger family protein 0.0062 0.1048 0.1893
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0661 0.1195
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0237 0.5534 0.5534
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0024 0.0072 0.0072
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0237 0.5534 0.5534
Echinococcus multilocularis dnaJ subfamily B 0.0412 1 1
Toxoplasma gondii hypothetical protein 0.0073 0.1329 0.8392
Treponema pallidum fructose-bisphosphate aldolase 0.0295 0.6995 0.5
Trypanosoma cruzi cyclin, putative 0.0116 0.2426 1
Onchocerca volvulus 0.0116 0.2426 0.4343
Echinococcus multilocularis cyclins 0.0086 0.166 0.166
Echinococcus multilocularis cyclin b3 0.0086 0.166 0.166
Plasmodium falciparum cyclin 0.0086 0.166 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0695 0.0695
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0237 0.5534 0.5534
Brugia malayi Cyclin, N-terminal domain containing protein 0.0116 0.2426 0.4383
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0211 0.0381
Schistosoma mansoni voltage-gated cation channel 0.0237 0.5534 0.5534
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0024 0.0072 0.0072
Schistosoma mansoni cpg binding protein 0.0029 0.0211 0.0211
Mycobacterium tuberculosis Probable reductase 0.0109 0.226 0.6383
Trichomonas vaginalis cyclins, putative 0.0116 0.2426 0.3468
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0144 0.3147 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0028 0.0199 0.0199
Schistosoma mansoni cyclins 0.0086 0.166 0.166
Trypanosoma cruzi cyclin, putative 0.0116 0.2426 1
Trichomonas vaginalis cyclin B3, putative 0.0086 0.166 0.2374
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.0237 0.5534 1
Echinococcus multilocularis cpg binding protein 0.0033 0.0302 0.0302
Schistosoma mansoni survival motor neuron protein 0.0047 0.0661 0.0661
Brugia malayi hypothetical protein 0.0228 0.5304 0.9584
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0962 0.6072
Echinococcus granulosus cyclin b3 0.0086 0.166 0.166
Plasmodium falciparum thioredoxin reductase 0.0048 0.0694 0.418
Trichomonas vaginalis cyclin B, putative 0.0116 0.2426 0.3468
Echinococcus multilocularis cyclins 0.0086 0.166 0.166
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0295 0.6995 1
Schistosoma mansoni cyclin B3 0.022 0.509 0.509
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.6995 1
Entamoeba histolytica cyclin family protein 0.0086 0.166 0.2374
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1848 0.1848
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.226 0.6383
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.6995 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1848 0.1848
Entamoeba histolytica cyclin, putative 0.0086 0.166 0.2374
Trichomonas vaginalis cyclins, putative 0.0116 0.2426 0.3468
Schistosoma mansoni zinc finger protein 0.0021 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0101 0.2061 0.3723
Schistosoma mansoni jumonji/arid domain-containing protein 0.0078 0.1471 0.1471
Giardia lamblia Hypothetical protein 0.0086 0.166 0.2374
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0144 0.3147 1
Echinococcus granulosus voltage dependent calcium channel 0.0237 0.5534 0.5534
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.226 0.6383
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0094 0.0094
Schistosoma mansoni jumonji/arid domain-containing protein 0.0078 0.1471 0.1471
Brugia malayi glutathione reductase 0.0048 0.0694 0.1254
Loa Loa (eye worm) hypothetical protein 0.0039 0.0459 0.083
Echinococcus multilocularis cyclins 0.0086 0.166 0.166
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.5304 0.5304
Loa Loa (eye worm) hypothetical protein 0.0071 0.1292 0.2335
Plasmodium vivax hypothetical protein, conserved 0.0062 0.1048 1
Trichomonas vaginalis cyclin B, putative 0.0116 0.2426 0.3468
Loa Loa (eye worm) hypothetical protein 0.0045 0.0612 0.1105
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0062 0.1048 0.1048
Loa Loa (eye worm) hypothetical protein 0.0073 0.1329 0.2401
Echinococcus granulosus cyclins 0.0086 0.166 0.166
Echinococcus granulosus cyclins 0.0086 0.166 0.166
Echinococcus granulosus G2:mitotic specific cyclin B3 0.022 0.509 0.509
Brugia malayi PHD-finger family protein 0.0024 0.0078 0.0141
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0397 0.0397
Brugia malayi PHD-finger family protein 0.0062 0.1048 0.1893
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.1848 0.334
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0694 0.1254
Echinococcus granulosus voltage dependent calcium channel 0.0083 0.1584 0.1584
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.2571 0.3506
Loa Loa (eye worm) hypothetical protein 0.0106 0.2173 0.3927
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0237 0.5534 0.5534
Loa Loa (eye worm) glutathione reductase 0.0048 0.0694 0.1254
Plasmodium falciparum phd finger protein, putative 0.0062 0.1048 0.631
Schistosoma mansoni hypothetical protein 0.0412 1 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.1584 0.2862
Echinococcus multilocularis cyclins 0.0086 0.166 0.166
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.6995 1
Leishmania major trypanothione reductase 0.0048 0.0694 0.2861
Brugia malayi Thioredoxin reductase 0.0048 0.0694 0.1254
Echinococcus granulosus cyclin B3 1 0.0086 0.166 0.166
Echinococcus granulosus cyclins 0.0086 0.166 0.166
Loa Loa (eye worm) hypothetical protein 0.003 0.0237 0.0429
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.1848 0.1848
Toxoplasma gondii transporter, cation channel family protein 0.0083 0.1584 1
Echinococcus granulosus jumonji domain containing protein 0.0086 0.1665 0.1665
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.1068 0.1068
Trichomonas vaginalis cyclins, putative 0.0116 0.2426 0.3468
Brugia malayi CXXC zinc finger family protein 0.0029 0.0211 0.0381
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.6995 1
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0237 0.5534 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0256 0.0256
Echinococcus granulosus PHD finger protein rhinoceros 0.0062 0.1048 0.1048
Trichomonas vaginalis cyclin B, putative 0.0116 0.2426 0.3468
Loa Loa (eye worm) jmjC domain-containing protein 0.0078 0.1471 0.2657
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0256 0.1619
Onchocerca volvulus 0.0031 0.0256 0.0459
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0694 0.2861
Schistosoma mansoni jumonji domain containing protein 0.0161 0.3572 0.3572
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.022 0.509 0.509
Onchocerca volvulus 0.0239 0.5585 1
Echinococcus multilocularis zinc finger protein 0.0021 0.0018 0.0018
Entamoeba histolytica heat shock transcription factor, putative 0.0101 0.2061 0.2946
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.2571 0.7651
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1848 0.1848
Echinococcus multilocularis peregrin 0.0064 0.1109 0.1109
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.6995 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.6995 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.1048 0.1893
Loa Loa (eye worm) hypothetical protein 0.0024 0.0078 0.0141
Trichomonas vaginalis cyclin B, putative 0.0116 0.2426 0.3468
Echinococcus multilocularis lysine specific demethylase 5A 0.0075 0.1379 0.1379
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.1051 0.1051
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0694 0.0694
Echinococcus multilocularis cyclins 0.0086 0.166 0.166
Toxoplasma gondii hypothetical protein 0.0065 0.1132 0.7149
Giardia lamblia Fructose-bisphosphate aldolase 0.0295 0.6995 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0048 0.0695 0.0695
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.2571 0.7651
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.226 0.6383
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0116 0.2426 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.1848 0.1848
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0083 0.1584 0.6529
Entamoeba histolytica cyclin, putative 0.0116 0.2426 0.3468
Echinococcus multilocularis cyclin B3 1 0.0086 0.166 0.166
Echinococcus multilocularis jumonji domain containing protein 0.0086 0.1665 0.1665
Trichomonas vaginalis cyclin D, putative 0.0086 0.166 0.2374
Schistosoma mansoni hypothetical protein 0.0021 0.0003 0.0003
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0694 0.0694
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.2571 0.7651
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0695 0.0695
Echinococcus multilocularis cyclin B 0.0116 0.2426 0.2426
Schistosoma mansoni bromodomain containing protein 0.0065 0.1143 0.1143
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.6995 1
Brugia malayi Pre-SET motif family protein 0.021 0.4845 0.8755
Trypanosoma brucei mitotic cyclin 6 0.0116 0.2426 1
Loa Loa (eye worm) calcium channel 0.0237 0.5534 1
Giardia lamblia Cyclin A 0.0086 0.166 0.2374
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0237 0.5534 0.5534
Trypanosoma cruzi CYC2-like cyclin, putative 0.0116 0.2426 1
Trichomonas vaginalis conserved hypothetical protein 0.0086 0.166 0.2374
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.4845 0.8755
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0202 0.4633 0.4633
Schistosoma mansoni cpg binding protein 0.0033 0.0302 0.0302
Toxoplasma gondii thioredoxin reductase 0.0048 0.0694 0.4382
Schistosoma mansoni hypothetical protein 0.0062 0.1048 0.1048
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.1848 0.1848
Schistosoma mansoni hypothetical protein 0.0047 0.0661 0.0661
Onchocerca volvulus 0.0047 0.0661 0.1184
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0094 0.0094
Plasmodium falciparum glutathione reductase 0.0048 0.0694 0.418
Onchocerca volvulus Heat shock factor protein 2 homolog 0.0101 0.2061 0.369
Echinococcus granulosus cpg binding protein 0.0033 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0041 0.052 0.094
Loa Loa (eye worm) hypothetical protein 0.0048 0.0695 0.1256
Echinococcus multilocularis PHD finger protein rhinoceros 0.0062 0.1048 0.1048
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.5304 0.5304
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.6995 1
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0083 0.1584 0.6529
Loa Loa (eye worm) voltage-dependent calcium channel 0.0083 0.1584 0.2862
Brugia malayi Cyclin, N-terminal domain containing protein 0.0116 0.2426 0.4383
Trichomonas vaginalis cyclin A, putative 0.0116 0.2426 0.3468
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.1051 0.1051
Plasmodium vivax glutathione reductase, putative 0.0048 0.0694 0.6624
Trichomonas vaginalis cyclins, putative 0.0116 0.2426 0.3468
Brugia malayi PHD-finger family protein 0.0027 0.0155 0.028
Entamoeba histolytica heat shock transcription factor, putative 0.0101 0.2061 0.2946
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0237 0.5534 0.5534
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.226 0.6383
Onchocerca volvulus Alhambra homolog 0.0062 0.1048 0.1876
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0003 0.0005
Echinococcus multilocularis cyclins 0.0086 0.166 0.166
Toxoplasma gondii PHD-finger domain-containing protein 0.0062 0.1048 0.6615
Schistosoma mansoni cpg binding protein 0.0033 0.0302 0.0302
Echinococcus granulosus cyclins 0.0086 0.166 0.166
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0022 0.0032 0.0193
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0237 0.5534 0.5534
Brugia malayi HSF-type DNA-binding domain containing protein 0.0101 0.2061 0.3723
Echinococcus granulosus zinc finger protein 0.0021 0.0018 0.0018
Entamoeba histolytica cyclin family protein 0.0086 0.166 0.2374
Trypanosoma cruzi cyclin 6, putative 0.0116 0.2426 1
Brugia malayi Bromodomain containing protein 0.0077 0.1444 0.261
Echinococcus multilocularis voltage dependent calcium channel 0.0237 0.5534 0.5534
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0694 0.6624
Giardia lamblia PHD finger protein 15 0.0062 0.1048 0.1498
Loa Loa (eye worm) cyclin domain-containing protein 0.022 0.509 0.9197
Echinococcus granulosus cyclin B 0.0116 0.2426 0.2426
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0212 0.0212
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0048 0.0695 0.0695

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.01 uM Inhibition of Cyclin-dependent kinase 2-cyclin E ChEMBL. 15537345
IC50 (binding) = 0.01 uM Inhibition of Cyclin-dependent kinase 2-cyclin E ChEMBL. 15537345
IC50 (functional) = 0.09 uM Inhibition of human colon carcinoma cell (HCT116) proliferation ChEMBL. 15537345
IC50 (functional) = 0.09 uM Inhibition of human colon carcinoma cell (HCT116) proliferation ChEMBL. 15537345
IC50 (binding) = 0.1 uM Inhibition of Cyclin-dependent kinase 1-cyclin B ChEMBL. 15537345
IC50 (binding) = 0.1 uM Inhibition of Cyclin-dependent kinase 1-cyclin B ChEMBL. 15537345
IC50 (binding) = 2 uM Inhibition of Cyclin-dependent kinase 4-cyclin D1 ChEMBL. 15537345
IC50 (binding) = 2 uM Inhibition of Cyclin-dependent kinase 4-cyclin D1 ChEMBL. 15537345

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15537345

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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